data_1eal_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1eal _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 116.826 -1.559 . . . . 0.0 107.53 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p 45.1 65.63 1.06 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.025 1.738 . . . . 0.0 112.776 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 174.99 44.31 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 118.728 -1.701 . . . . 0.0 113.404 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -80.69 161.34 24.67 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -153.77 148.91 26.88 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.243 -1.361 . . . . 0.0 108.594 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -113.14 145.02 41.66 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.3 mt -97.24 132.28 42.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.72 4.34 8.18 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.178 -1.867 . . . . 0.0 113.695 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -173.41 155.15 2.77 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.57 1.986 . . . . 0.0 111.924 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -133.23 -179.58 5.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -149.94 102.6 3.13 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 116.523 -1.703 . . . . 0.0 109.335 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 110.83 61.41 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 O-C-N 124.762 1.289 . . . . 0.0 110.008 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -95.79 3.4 53.79 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.759 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.56 -50.74 4.17 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.543 1.519 . . . . 0.0 109.732 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.61 -40.59 69.7 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.82 -50.4 69.06 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.03 -34.88 79.48 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.921 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -54.04 -52.15 61.77 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -73.48 -35.34 65.67 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.181 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -43.92 97.72 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -175.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 100.17 67.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.863 0.727 . . . . 0.0 111.891 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 154.12 48.31 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.883 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.8 162.9 39.93 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 122.928 2.082 . . . . 0.0 110.981 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 m -59.47 -45.18 92.39 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.229 -0.891 . . . . 0.0 113.108 -167.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.92 -44.39 86.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.612 1.096 . . . . 0.0 109.584 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.19 90.95 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.185 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.92 -51.8 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.32 -46.38 83.29 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.396 -1.288 . . . . 0.0 111.224 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -71.79 -32.26 67.45 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 120.263 1.392 . . . . 0.0 110.808 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -30.57 66.01 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.695 -1.622 . . . . 0.0 112.492 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -22.61 -49.76 0.02 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -155.94 48.54 0.5 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.541 1.064 . . . . 0.0 110.319 170.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 110.97 2.93 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 101.956 -3.35 . . . . 0.0 101.956 170.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 163.48 27.71 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -165.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.82 139.05 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 116.82 -1.562 . . . . 0.0 109.764 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.4 mt -97.54 141.19 16.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -121.57 161.82 21.7 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.622 0.577 . . . . 0.0 110.261 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -163.0 150.8 13.51 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.679 -1.153 . . . . 0.0 109.259 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.56 148.75 20.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.763 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -136.99 151.31 48.84 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -131.41 145.88 52.01 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.504 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -100.29 -112.83 0.18 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 115.932 -1.985 . . . . 0.0 105.861 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.32 -81.99 0.77 Allowed Glycine 0 C--N 1.357 1.711 0 CA-C-N 122.754 2.524 . . . . 0.0 107.201 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -116.86 27.68 9.0 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 117.755 0.778 . . . . 0.0 109.169 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.38 115.35 29.13 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -93.55 155.63 17.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -136.69 100.9 4.46 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -103.21 152.01 21.98 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.827 -1.083 . . . . 0.0 109.337 -169.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -153.24 114.45 4.17 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.344 -1.313 . . . . 0.0 112.453 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -112.27 138.29 49.19 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -136.01 112.83 10.22 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.019 1.281 . . . . 0.0 111.87 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -69.5 136.75 88.41 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-O 115.367 -2.254 . . . . 0.0 105.246 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.83 -37.24 21.21 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 124.051 2.482 . . . . 0.0 112.44 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.47 166.44 7.06 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.51 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.97 -37.15 28.75 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-O 118.648 -1.085 . . . . 0.0 113.41 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -67.61 154.47 41.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.992 1.396 . . . . 0.0 112.248 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -153.33 156.19 37.9 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.314 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -120.38 90.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 m -103.27 142.58 33.95 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.617 -1.182 . . . . 0.0 108.515 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -145.39 161.35 39.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.967 0.803 . . . . 0.0 109.268 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -147.17 134.19 20.33 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -161.3 161.97 30.8 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.862 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 p -106.89 153.93 21.8 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 124.365 1.041 . . . . 0.0 109.754 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.78 141.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.53 -159.04 38.79 Favored Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.406 -2.278 . . . . 0.0 107.406 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.0 tttt 55.34 -126.15 2.17 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 115.376 -2.25 . . . . 0.0 107.565 172.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -165.85 149.36 7.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 123.149 2.704 . . . . 0.0 110.918 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 p -143.1 175.8 9.59 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 111.384 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -126.05 151.78 46.69 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.637 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.1 152.56 35.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.576 -1.202 . . . . 0.0 108.107 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -144.11 84.4 1.77 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 -71.2 0.23 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.938 -1.029 . . . . 0.0 113.701 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.47 -55.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.646 1.112 . . . . 0.0 108.272 -170.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.48 135.45 1.9 Allowed Glycine 0 C--N 1.353 1.514 0 CA-C-O 118.038 -1.423 . . . . 0.0 111.744 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 16.82 68.0 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 119.614 1.707 . . . . 0.0 112.682 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -136.03 66.4 1.5 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.77 1.785 . . . . 0.0 107.06 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -68.31 143.47 55.19 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.85 166.65 20.42 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -113.47 151.07 31.93 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.31 142.75 14.64 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.859 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 p -103.59 86.18 2.58 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 t -52.81 140.33 8.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 C-N-CA 119.446 -0.902 . . . . 0.0 108.678 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -131.84 167.15 20.06 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.71 133.8 34.6 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.692 -1.147 . . . . 0.0 108.551 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -140.31 127.6 21.17 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.1 -155.66 52.47 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -171.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.86 55.25 1.62 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.349 -1.901 . . . . 0.0 108.349 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -151.37 121.11 7.01 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.155 -1.402 . . . . 0.0 108.983 -171.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.45 146.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 120.04 1.291 . . . . 0.0 108.963 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.14 155.44 38.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.11 154.1 30.4 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.893 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.45 136.96 35.16 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.425 -1.274 . . . . 0.0 108.682 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -138.42 159.8 66.31 Favored Pre-proline 0 C--N 1.356 0.864 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.932 -174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -44.19 -44.44 12.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 CA-C-N 123.102 2.144 . . . . 0.0 114.794 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -145.85 52.7 1.16 Allowed 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.694 1.134 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 78.3 t80 -171.01 71.11 0.05 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -70.55 147.05 49.73 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -151.66 150.71 30.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.623 -1.18 . . . . 0.0 109.815 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.6 p -148.97 162.43 39.91 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.549 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.04 159.7 42.16 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.369 1.043 . . . . 0.0 109.736 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -152.1 150.91 30.43 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.502 -166.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mm -120.81 127.24 75.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.401 -1.285 . . . . 0.0 107.87 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.96 152.87 11.7 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.744 -1.122 . . . . 0.0 108.878 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 47.93 37.6 7.79 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.462 1.028 . . . . 0.0 113.109 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 55.42 39.03 71.75 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.047 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -137.66 166.94 22.72 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.8 tt -114.87 125.09 53.25 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.32 149.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.67 157.86 37.34 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 119.431 1.014 . . . . 0.0 111.026 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.87 165.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 118.73 0.695 . . . . 0.0 110.062 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 m -142.36 146.14 34.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 163.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.3 m -152.24 154.51 35.91 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 119.666 1.121 . . . . 0.0 110.011 -171.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -143.65 60.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.32 15.03 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.669 -1.073 . . . . 0.0 112.373 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.01 -64.56 0.49 Allowed Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.3 t -92.38 137.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.8 p -111.42 166.45 11.11 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -143.21 65.57 1.33 Allowed 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.67 146.09 26.69 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.219 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -154.26 159.92 41.54 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.301 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.21 162.85 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.519 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 m -155.21 152.44 29.35 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.654 -171.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -97.56 165.58 11.92 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.287 0.992 . . . . 0.0 108.664 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . 0.26 1.7 pt? -155.94 51.29 0.54 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.131 0.878 . . . . 0.0 111.608 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.761 0 CA-C-O 120.731 0.301 . . . . 0.0 110.479 174.492 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 t -48.81 147.99 2.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.929 1.24 . . . . 0.0 111.963 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.88 15.18 Favored Glycine 0 C--N 1.358 1.788 0 CA-C-N 119.345 0.975 . . . . 0.0 112.017 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -95.5 152.65 18.23 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -148.04 157.41 43.5 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -130.6 161.35 31.76 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 tt -97.73 134.78 34.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-O 117.612 -1.185 . . . . 0.0 108.281 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.4 -61.05 2.04 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 168.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -157.98 157.55 33.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.48 -0.772 . . . . 0.0 110.079 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -92.22 170.94 9.41 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.671 -1.157 . . . . 0.0 107.906 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -154.77 136.23 14.19 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.76 1.164 . . . . 0.0 110.751 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 59.61 43.23 16.08 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.644 1.111 . . . . 0.0 110.744 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 25.4 p90 -82.75 -44.13 15.96 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 10.9 p-10 -61.99 -45.67 92.59 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 118.125 -0.94 . . . . 0.0 112.301 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -71.91 -29.95 64.86 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.806 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.71 -49.21 55.51 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.2 mtt -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.086 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -50.57 73.28 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.48 -37.28 83.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.224 -1.369 . . . . 0.0 110.785 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.19 -40.72 64.62 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.919 1.69 . . . . 0.0 107.701 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 92.05 59.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.709 1.256 . . . . 0.0 108.542 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.42 145.18 29.23 Favored Pre-proline 0 C--N 1.357 0.925 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.07 -76.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 123.673 2.347 . . . . 0.0 115.255 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -161.6 -59.39 0.05 OUTLIER 'General case' 0 C--N 1.355 0.813 0 CA-C-N 121.034 1.743 . . . . 0.0 111.246 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.36 -39.45 76.02 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.41 1.459 . . . . 0.0 107.725 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.1 83.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.595 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.93 -50.44 79.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.35 -42.44 91.54 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 117.628 -1.177 . . . . 0.0 112.52 -172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -30.44 66.27 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.712 1.596 . . . . 0.0 110.698 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.194 0.906 . . . . 0.0 111.047 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -55.61 150.54 12.12 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.291 0.95 . . . . 0.0 109.383 175.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.77 34.7 7.86 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 161.22 30.72 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.847 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -126.18 62.78 1.25 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -72.21 141.12 16.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.621 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.65 133.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 159.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -101.59 111.04 23.15 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -122.93 139.15 54.36 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.655 1.571 . . . . 0.0 107.462 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.86 152.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.829 -1.081 . . . . 0.0 108.553 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -126.2 147.86 49.57 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 169.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.27 139.7 53.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -141.39 -138.72 0.12 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.484 -1.722 . . . . 0.0 109.208 -174.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.86 96.0 0.18 Allowed Glycine 0 C--N 1.355 1.618 0 CA-C-N 122.619 2.463 . . . . 0.0 109.718 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 38.83 34.84 0.1 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 119.076 1.438 . . . . 0.0 112.436 -175.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -131.75 158.12 42.02 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 31.7 m-85 -139.14 139.33 37.6 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.588 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.2 m -117.8 84.21 2.13 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 101.88 -3.378 . . . . 0.0 101.88 168.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -99.47 135.8 40.36 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.642 -1.647 . . . . 0.0 107.237 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -148.07 160.98 42.3 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.324 1.42 . . . . 0.0 111.368 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -133.23 119.75 20.24 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -85.82 71.05 10.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.982 1.265 . . . . 0.0 109.765 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.54 138.38 76.2 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.093 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.96 -179.36 4.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 122.609 1.968 . . . . 0.0 114.371 -169.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.73 13.39 83.09 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.913 -1.493 . . . . 0.0 111.998 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.28 48.84 65.34 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 120.248 2.024 . . . . 0.0 110.347 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -138.27 55.55 1.75 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -54.82 143.78 24.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.552 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.64 78.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 m -71.0 149.39 46.69 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.127 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -147.03 72.71 1.28 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.6 m -73.45 128.68 36.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 20.9 p90 -150.36 159.08 44.72 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 119.886 1.221 . . . . 0.0 112.149 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.9 m -131.25 140.34 49.82 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.43 145.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.079 -0.962 . . . . 0.0 108.82 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.03 -58.37 2.09 Favored Glycine 0 C--N 1.357 1.711 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.75 161.86 17.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.523 1.162 . . . . 0.0 111.401 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.12 119.93 19.01 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 170.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 m -99.06 147.09 25.4 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 119.587 1.085 . . . . 0.0 110.763 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.04 145.62 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 mm -142.69 143.85 25.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.852 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.98 177.23 5.88 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 m -130.75 -62.68 0.9 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.918 -1.515 . . . . 0.0 110.396 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.2 tp 173.82 -46.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.171 1.35 . . . . 0.0 109.812 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 65.74 3.77 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.23 35.41 34.49 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 117.558 -1.69 . . . . 0.0 113.097 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -90.34 157.45 17.63 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.456 1.628 . . . . 0.0 109.125 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -167.15 108.15 0.63 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.14 158.86 43.71 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 119.294 0.952 . . . . 0.0 108.927 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -88.51 151.32 22.6 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.83 149.47 14.61 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.22 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -87.87 140.49 29.45 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.566 -1.207 . . . . 0.0 110.523 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -102.06 143.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.74 164.06 32.15 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 166.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.0 142.52 47.29 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.858 -171.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.13 151.07 20.83 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.788 -1.101 . . . . 0.0 110.13 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.9 -145.74 19.77 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.961 -1.655 . . . . 0.0 108.961 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.05 53.68 0.94 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -144.39 164.51 30.6 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 117.726 0.763 . . . . 0.0 110.041 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 p -119.3 143.86 29.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.74 114.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.824 1.193 . . . . 0.0 109.949 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 145.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 162.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -153.05 66.63 0.79 Allowed 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 118.531 -1.268 . . . . 0.0 112.389 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.4 p -89.89 139.92 27.65 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-O 115.701 -2.095 . . . . 0.0 105.43 167.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -46.17 -42.4 21.52 Favored 'Trans proline' 0 C--N 1.358 1.032 0 CA-C-N 123.299 2.214 . . . . 0.0 114.505 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -78.41 -64.73 1.1 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.029 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -96.09 79.79 3.23 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.92 147.56 40.84 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -159.59 155.27 25.97 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.491 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -145.03 164.61 30.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 150.89 37.02 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 124.946 1.404 . . . . 0.0 107.491 166.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.83 156.47 36.26 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.108 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.7 mm -102.89 146.5 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 170.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.26 131.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.906 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.73 -88.74 0.02 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-N 119.378 0.99 . . . . 0.0 109.932 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.62 47.61 0.54 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -146.44 165.25 29.95 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -110.96 143.52 41.5 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.81 148.31 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 159.47 36.72 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.838 1.199 . . . . 0.0 111.483 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.95 161.96 8.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.154 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -129.02 144.64 51.25 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 164.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 m -142.97 150.39 39.63 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.316 1.416 . . . . 0.0 110.606 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -134.96 61.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.93 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.44 -84.98 0.43 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.45 -57.31 2.63 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.803 -0.998 . . . . 0.0 112.405 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.66 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 118.335 1.068 . . . . 0.0 109.364 -169.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.2 p -119.06 164.59 15.3 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 124.174 0.921 . . . . 0.0 109.756 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 76.87 1.62 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.42 152.41 32.21 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.728 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -143.13 157.19 44.74 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.0 152.98 37.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.631 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 m -155.53 165.67 35.87 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 118.845 0.748 . . . . 0.0 111.353 -170.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 167.52 17.17 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.04 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -103.84 134.79 46.55 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.794 -1.098 . . . . 0.0 111.877 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 4.9 tt -86.91 -57.53 2.94 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 170.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 126' ' ' LEU . . . . . . . . 0 C--N 1.358 0.964 0 O-C-N 124.585 1.178 . . . . 0.0 108.163 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.456 0 N-CA-C 103.551 -2.759 . . . . 0.0 103.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p 39.63 68.42 0.38 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.868 0.73 . . . . 0.0 112.48 166.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.04 -172.03 39.63 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.333 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -123.38 156.18 35.91 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.504 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -147.1 131.85 17.94 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.336 -1.316 . . . . 0.0 109.61 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -97.77 142.06 30.01 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 tt -62.06 144.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 119.223 0.92 . . . . 0.0 109.422 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.05 -59.48 1.89 Allowed 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -176.14 71.95 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 164.23 10.65 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.952 -175.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -136.54 166.72 22.85 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 57.51 25.4 11.44 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.509 -1.234 . . . . 0.0 113.665 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -69.21 -43.28 74.44 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 171.582 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.56 -50.53 71.61 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.446 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.8 -40.08 83.94 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.836 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.59 -48.71 68.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.832 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.6 ttm -68.73 -36.74 78.8 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.499 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -37.77 71.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -63.37 -41.55 98.82 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.233 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.92 -44.98 93.98 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.346 . . 108.87 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.32 156.73 0.1 OUTLIER Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 117.362 -1.304 . . . . 0.0 110.702 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.28 165.7 16.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 124.283 2.565 . . . . 0.0 110.733 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -66.23 -33.76 76.47 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.644 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.84 -50.86 32.63 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.298 0.954 . . . . 0.0 108.697 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.53 64.79 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.806 0.73 . . . . 0.0 111.211 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.67 -48.28 88.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.3 -35.78 81.97 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.576 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -70.2 -41.78 73.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.297 1.408 . . . . 0.0 108.97 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -60.99 151.48 30.41 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 82.16 -51.85 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.782 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.41 153.99 40.2 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.338 0.972 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -126.01 110.74 13.92 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.46 141.35 17.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 120.503 1.501 . . . . 0.0 107.525 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -102.59 101.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 170.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -74.97 157.12 35.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -174.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -160.64 141.36 11.68 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 117.523 -1.227 . . . . 0.0 109.119 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -145.41 164.48 11.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -157.21 131.39 8.38 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.679 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -81.4 150.31 28.44 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.442 1.019 . . . . 0.0 109.375 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.1 55.96 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.56 73.44 1.06 Allowed Glycine 0 C--N 1.356 1.665 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 50.47 51.76 16.19 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.89 104.32 1.92 Allowed 'General case' 0 C--N 1.351 0.67 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -87.82 99.9 12.46 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 m -70.64 94.34 1.0 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 171.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -90.49 154.43 19.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.432 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.2 m -151.6 157.85 42.73 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.022 0.828 . . . . 0.0 112.506 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -134.72 87.77 2.38 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -82.78 98.98 9.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.356 -168.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.21 143.52 97.65 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 115.901 -1.999 . . . . 0.0 106.048 169.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.85 -39.69 39.39 Favored 'Trans proline' 0 C--N 1.358 1.055 0 CA-C-N 123.542 2.301 . . . . 0.0 115.948 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.23 -172.44 10.82 Favored Glycine 0 C--N 1.354 1.531 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.481 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -33.56 44.87 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.498 -1.168 . . . . 0.0 111.057 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -55.54 150.31 12.3 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.78 1.29 . . . . 0.0 109.901 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 p -170.11 93.78 0.23 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.5 146.73 11.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 119.272 -0.971 . . . . 0.0 108.671 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -123.63 142.03 51.44 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -135.26 73.65 1.48 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -63.68 129.11 38.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 117.633 -1.175 . . . . 0.0 108.377 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -148.34 166.91 26.62 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.196 0.907 . . . . 0.0 109.429 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 50.8 m -126.09 145.23 50.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.414 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -73.96 98.03 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.477 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.58 -58.54 0.52 Allowed Glycine 0 C--N 1.358 1.757 0 CA-C-N 119.53 1.059 . . . . 0.0 112.87 170.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -69.01 164.54 22.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 117.621 0.71 . . . . 0.0 111.472 -170.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -72.35 99.1 2.35 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.9 m -79.89 156.3 27.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.861 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -105.13 139.77 39.31 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.22 154.32 39.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.53 176.91 11.49 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.355 -168.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.33 15.2 t 56.98 -175.26 0.06 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.804 1.315 . . . . 0.0 109.977 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.8 mm 65.14 -78.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -169.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 -29.06 59.96 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.07 -1.406 . . . . 0.0 111.542 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.3 -64.77 0.8 Allowed Glycine 0 C--N 1.355 1.626 0 N-CA-C 106.735 -2.546 . . . . 0.0 106.735 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.05 120.97 8.92 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.56 -1.21 . . . . 0.0 107.926 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -67.61 159.54 29.71 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.0 1.273 . . . . 0.0 109.664 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -132.68 157.34 45.1 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 118.274 -0.869 . . . . 0.0 109.709 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -88.7 165.48 14.72 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 165.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.21 159.1 35.71 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.325 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -123.49 88.21 2.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.43 139.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.78 148.4 8.87 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.531 169.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 75.7 mtp -92.68 156.32 17.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.92 0.782 . . . . 0.0 109.374 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.72 55.79 0.68 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.63 -150.59 19.94 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.96 56.3 3.68 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -165.15 160.87 19.1 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.319 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.28 134.5 57.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 124.489 1.118 . . . . 0.0 109.519 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.0 141.7 21.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.291 0.5 OUTLIER -139.71 76.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -79.49 164.11 24.18 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.294 -171.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -162.57 150.8 12.01 Favored Pre-proline 0 C--N 1.352 0.713 0 CA-C-O 115.623 -2.132 . . . . 0.0 108.88 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.23 -27.19 48.72 Favored 'Trans proline' 0 C--N 1.359 1.09 0 CA-C-N 124.205 2.537 . . . . 0.0 113.638 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -139.01 40.91 2.13 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 121.306 1.866 . . . . 0.0 111.217 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 45.7 t80 -176.06 62.82 0.02 OUTLIER 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -64.3 131.32 46.97 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -132.73 154.9 49.75 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -165.43 151.4 9.61 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 119.271 0.941 . . . . 0.0 109.446 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.85 161.15 40.65 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -157.28 114.94 3.11 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.809 -166.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.5 mm -83.27 140.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 170.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.3 141.33 7.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.075 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 37.04 47.19 0.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.22 47.08 92.54 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.727 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -157.94 137.7 12.18 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.22 -1.848 . . . . 0.0 107.604 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 tp -98.18 118.66 35.3 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.809 1.64 . . . . 0.0 108.112 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.43 147.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.74 130.36 25.78 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.77 -1.586 . . . . 0.0 107.761 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -131.58 147.88 32.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 119.827 1.194 . . . . 0.0 108.754 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 m -143.95 154.87 43.76 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 116.82 -1.562 . . . . 0.0 107.828 173.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 m -145.79 145.83 30.95 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.871 1.214 . . . . 0.0 110.157 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.0 51.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 123.692 0.62 . . . . 0.0 109.937 -168.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.09 -78.13 0.4 Allowed Glycine 0 C--N 1.354 1.532 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.52 25.67 3.11 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.645 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 66.8 t -141.99 93.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.721 1.761 . . . . 0.0 106.248 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -70.41 158.5 35.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.37 63.41 1.63 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.73 131.52 47.08 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -151.81 157.81 42.43 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 118.57 0.623 . . . . 0.0 109.81 171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.68 152.71 20.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.2 p -138.46 129.53 27.01 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -78.85 126.27 30.48 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -77.95 112.18 14.58 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.35 -51.5 6.52 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.639 1.109 . . . . 0.0 109.894 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.782 0 CA-C-N 119.627 1.103 . . . . 0.0 111.137 -178.676 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 m 46.02 73.02 0.19 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 167.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.98 177.37 48.25 Favored Glycine 0 C--N 1.353 1.49 0 C-N-CA 119.45 -1.357 . . . . 0.0 112.912 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -101.06 159.19 15.43 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 172.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -149.62 114.29 5.31 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.94 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.65 124.38 30.77 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.97 1.259 . . . . 0.0 109.636 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.16 142.36 16.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 119.482 1.037 . . . . 0.0 108.986 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.67 -57.15 2.1 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.027 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -123.92 152.85 41.98 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -138.93 61.56 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.31 151.36 35.03 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.023 -168.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 55.85 49.05 16.81 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.631 0.651 . . . . 0.0 110.112 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -94.53 -38.46 10.88 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 117.443 -1.265 . . . . 0.0 108.883 172.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.49 -52.72 63.67 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 121.259 1.845 . . . . 0.0 112.472 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -66.39 -43.7 85.1 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.439 -173.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.93 -46.41 84.89 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.269 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.9 tpp -69.12 -28.28 66.33 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.003 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -68.33 -35.38 77.69 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.023 1.283 . . . . 0.0 110.226 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.55 -50.5 71.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.658 1.572 . . . . 0.0 107.976 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.86 -37.42 76.48 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.06 57.31 0.05 Allowed 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.5 150.78 47.18 Favored Pre-proline 0 C--N 1.353 0.761 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.21 171.96 9.51 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 123.919 2.435 . . . . 0.0 112.223 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 t -57.93 -46.75 84.55 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.941 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -56.67 -48.55 77.36 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.327 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.05 77.98 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.781 0.719 . . . . 0.0 110.088 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.99 -48.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.29 -35.66 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.77 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.57 -43.36 99.0 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.373 1.442 . . . . 0.0 108.515 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.61 -42.08 78.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.392 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.27 -66.98 0.45 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.252 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.25 -35.19 36.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.632 -164.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.49 161.75 28.86 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.017 1.735 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -109.0 93.26 4.42 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -172.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.3 132.4 29.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.427 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.3 mm -102.19 98.86 7.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 103.984 -2.599 . . . . 0.0 103.984 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -72.82 153.33 41.12 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -154.31 144.46 21.98 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.022 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.38 143.61 24.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.002 -1.475 . . . . 0.0 108.091 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -133.09 123.13 25.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -83.84 144.6 29.15 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.85 61.18 1.68 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.192 0.906 . . . . 0.0 109.813 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.62 80.69 0.15 Allowed Glycine 0 C--N 1.355 1.635 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 52.36 57.89 5.97 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.533 1.166 . . . . 0.0 108.098 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -166.66 147.25 6.0 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 170.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -133.97 92.08 2.91 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 107.437 -1.319 . . . . 0.0 107.437 -173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.4 m -73.6 93.05 1.99 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -90.32 155.86 18.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.806 -1.092 . . . . 0.0 108.84 -175.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.6 t -154.52 152.74 30.44 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.232 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -127.54 96.86 4.67 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.43 118.78 34.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.318 -1.325 . . . . 0.0 108.674 -167.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -94.55 122.37 61.1 Favored Pre-proline 0 C--N 1.355 0.834 0 CA-C-O 114.504 -2.665 . . . . 0.0 104.255 -178.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -36.44 89.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 CA-C-N 123.937 2.442 . . . . 0.0 116.063 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 77.64 150.15 4.09 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.827 -0.985 . . . . 0.0 111.044 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.3 -85.27 1.56 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.522 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -104.73 79.72 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.33 1.065 . . . . 0.0 110.536 -169.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.8 p -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.381 -1.295 . . . . 0.0 108.367 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -108.18 149.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 119.69 1.132 . . . . 0.0 108.272 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 m -125.89 151.94 46.22 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -143.55 73.96 1.41 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -64.92 131.93 48.0 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.772 -1.108 . . . . 0.0 108.679 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -150.78 166.38 30.65 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.186 0.903 . . . . 0.0 109.592 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.3 m -136.86 151.38 49.04 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.969 -173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.59 138.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.607 1.094 . . . . 0.0 111.119 -173.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.08 8.49 58.52 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 116.674 -2.181 . . . . 0.0 116.151 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -92.88 -54.71 3.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 121.027 2.414 . . . . 0.0 109.821 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 121.2 84.5 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.57 150.08 26.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -101.44 129.13 47.41 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.7 mt -121.81 150.19 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-N 119.982 1.265 . . . . 0.0 109.442 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -131.04 127.87 39.15 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 167.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -90.32 77.5 6.61 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.007 1.276 . . . . 0.0 108.417 -172.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.251 0.0 OUTLIER 44.92 87.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 O-C-N 123.908 0.755 . . . . 0.0 111.951 176.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.83 56.57 8.07 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.444 172.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.14 -169.39 15.67 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -68.17 164.63 19.99 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -144.04 159.65 42.23 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.341 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -88.82 159.27 17.81 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 164.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.87 85.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 m -67.19 81.9 0.13 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.52 143.95 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.844 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -157.6 114.65 2.98 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.56 -1.209 . . . . 0.0 109.957 -171.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.81 154.6 38.24 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.685 1.584 . . . . 0.0 109.262 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -145.82 67.02 1.2 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.96 56.82 3.93 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.58 -59.25 2.56 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.15 151.82 45.13 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 118.773 1.287 . . . . 0.0 109.511 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.0 p -98.24 146.45 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 117.473 -1.251 . . . . 0.0 107.913 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.32 101.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.86 147.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 166.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -149.88 132.14 15.5 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.619 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 m -144.86 160.64 46.22 Favored Pre-proline 0 C--N 1.358 0.955 0 CA-C-O 116.043 -1.932 . . . . 0.0 108.236 -174.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.74 -22.46 49.86 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 123.605 2.323 . . . . 0.0 112.161 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -147.39 54.98 1.08 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.59 1.541 . . . . 0.0 109.933 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 97' ' ' TYR . 20.2 t80 167.08 67.15 0.0 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -85.18 145.7 27.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -151.01 149.3 29.4 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.928 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -145.97 157.31 43.88 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 119.861 1.209 . . . . 0.0 108.743 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.03 153.17 41.19 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 124.274 0.984 . . . . 0.0 109.029 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.04 131.32 11.18 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 116.871 -1.538 . . . . 0.0 108.231 -163.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mp -111.84 146.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.2 t -141.57 110.15 2.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 50.03 42.01 24.12 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.95 1.705 . . . . 0.0 112.071 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.82 -12.32 17.2 Favored Glycine 0 C--N 1.356 1.654 0 CA-C-O 117.657 -1.635 . . . . 0.0 114.221 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.93 130.01 34.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.518 2.159 . . . . 0.0 105.207 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 tt -104.94 144.52 31.68 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.919 1.236 . . . . 0.0 107.688 -168.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.6 p -154.56 145.49 13.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.445 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.65 171.15 17.59 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.244 0.929 . . . . 0.0 112.537 -168.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.74 150.01 12.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.645 171.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.53 165.54 24.96 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 118.508 0.595 . . . . 0.0 110.228 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -153.81 147.07 24.75 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 117.644 -1.17 . . . . 0.0 108.766 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.02 56.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.581 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 44.62 50.4 8.38 Favored Glycine 0 C--N 1.355 1.638 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.017 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.24 -58.2 0.11 Allowed Glycine 0 C--N 1.35 1.341 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.499 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.5 m -141.02 159.03 23.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.149 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.3 t -103.09 166.3 10.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.006 0.816 . . . . 0.0 109.257 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -140.76 90.56 2.35 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 123.775 0.672 . . . . 0.0 109.61 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -71.31 142.5 50.45 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.116 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -139.59 153.55 47.4 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.1 p -152.86 144.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 119.89 1.223 . . . . 0.0 111.717 -173.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -156.34 169.84 23.66 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.217 0.917 . . . . 0.0 111.212 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 153.55 42.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 120.171 -0.611 . . . . 0.0 112.455 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.26 133.34 52.59 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.41 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -113.18 -63.36 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.62 0.646 . . . . 0.0 111.032 177.364 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' THR . 74.3 m-85 . . . . . 0 CA--C 1.512 -0.499 0 CA-C-O 116.993 -1.479 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' PHE . 6.9 t -35.26 132.46 0.38 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.096 1.317 . . . . 0.0 113.223 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 171.54 15.31 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -98.07 151.28 20.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.491 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -151.44 156.81 41.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.318 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.82 154.62 47.84 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 123.876 0.735 . . . . 0.0 110.936 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -84.27 98.1 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.77 -40.91 85.31 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -155.25 160.49 40.86 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.897 0.771 . . . . 0.0 111.032 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -175.96 138.85 0.37 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 115.77 -2.062 . . . . 0.0 108.129 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -140.33 51.01 1.68 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 121.43 1.923 . . . . 0.0 111.979 -174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -152.34 35.68 0.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -84.07 -34.53 24.18 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 14' ' ' TYR . 13.2 p-10 -67.78 -44.57 77.1 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 119.19 0.904 . . . . 0.0 109.859 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -65.7 -34.18 77.61 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.16 -41.75 99.3 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.965 -1.017 . . . . 0.0 111.159 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -56.41 -41.36 76.19 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.704 1.138 . . . . 0.0 109.088 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.9 -29.32 62.91 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.059 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 68.89 55.72 0.44 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.492 0.587 . . . . 0.0 110.451 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -92.12 147.36 34.56 Favored Pre-proline 0 C--N 1.355 0.83 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 169.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.46 163.64 33.95 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.028 2.474 . . . . 0.0 111.54 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 m -57.5 -39.21 75.98 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.527 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -51.58 -49.83 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.486 -0.885 . . . . 0.0 108.903 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.66 81.23 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.457 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.22 -49.5 66.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -57.69 -30.81 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.026 -1.07 . . . . 0.0 110.954 -175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.53 -47.57 72.49 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.048 1.295 . . . . 0.0 108.857 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.74 5.43 21.39 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.366 -1.302 . . . . 0.0 114.001 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -78.51 150.06 32.99 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.77 1.623 . . . . 0.0 106.712 171.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 55.65 58.43 4.52 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 tp -147.47 142.38 26.9 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -133.93 177.44 7.73 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.05 142.44 42.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.083 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.5 mt -95.17 114.27 31.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 124.28 37.42 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -124.34 116.26 22.33 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.51 138.41 35.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -126.68 100.28 6.14 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.24 151.21 47.5 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -144.11 72.06 1.34 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.57 -105.98 2.88 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 106.32 -2.712 . . . . 0.0 106.32 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -123.26 40.09 3.8 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.632 1.716 . . . . 0.0 108.588 169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -123.65 153.74 40.34 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.79 102.76 5.17 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 119.094 0.861 . . . . 0.0 108.929 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -78.57 91.53 4.6 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.307 -2.849 . . . . 0.0 103.307 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -92.38 90.06 7.07 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m -74.6 148.45 40.75 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.09 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -128.3 85.33 2.33 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -91.26 95.08 9.84 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -159.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -57.32 147.49 57.95 Favored Pre-proline 0 C--N 1.353 0.75 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.858 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.67 174.36 9.54 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.329 1.867 . . . . 0.0 108.526 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.25 -55.96 1.5 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.86 -50.51 0.38 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.34 1.07 . . . . 0.0 111.576 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.46 154.14 17.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 117.66 0.73 . . . . 0.0 111.692 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 p -136.16 154.75 50.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.898 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 64.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.4 t -59.96 159.38 9.34 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.741 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -125.74 74.51 1.42 Allowed 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 m -62.39 117.11 5.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -141.38 161.84 36.91 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.66 1.118 . . . . 0.0 111.98 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -125.21 152.09 44.99 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.446 1.091 . . . . 0.0 108.756 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.37 142.9 15.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.836 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.71 43.49 94.45 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.701 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -127.85 155.59 43.89 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.63 78.73 1.5 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.18 140.42 46.99 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.837 -1.077 . . . . 0.0 111.613 -169.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.45 132.65 34.95 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mm -118.48 81.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.6 148.49 38.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 m -132.73 149.01 52.34 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.334 1.021 . . . . 0.0 109.741 -172.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.3 155.5 3.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.06 46.56 65.01 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 119.32 -1.419 . . . . 0.0 109.957 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.65 -170.92 31.04 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.245 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.259 18.2 ptpt 54.08 155.11 0.0 OUTLIER 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -139.18 171.0 14.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 97' ' ' TYR . 8.3 m-85 -128.62 105.08 8.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.035 -0.984 . . . . 0.0 108.861 171.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.28 125.02 25.11 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 170.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.07 160.23 44.03 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.353 0.979 . . . . 0.0 111.147 -166.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -100.9 114.19 27.83 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.418 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 t -79.91 154.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -157.34 113.05 2.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.027 -1.94 . . . . 0.0 108.223 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 85' ' ' MET . 3.4 ppp? -108.48 148.14 30.65 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.592 1.542 . . . . 0.0 110.651 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.99 108.89 3.87 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 118.172 -0.918 . . . . 0.0 108.918 -174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.8 -103.85 1.61 Allowed Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.64 -1.644 . . . . 0.0 109.472 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.03 47.7 1.0 Allowed Glycine 0 C--N 1.355 1.639 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.68 162.29 36.34 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.303 -1.332 . . . . 0.0 108.817 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . 0.278 10.2 p -137.05 130.22 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.232 166.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.51 148.69 13.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 147.75 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 167.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -156.07 149.04 24.22 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.312 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 p -136.98 177.4 2.2 Favored Pre-proline 0 C--N 1.356 0.882 0 CA-C-O 116.224 -1.846 . . . . 0.0 107.755 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -51.93 -39.18 69.45 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.594 2.319 . . . . 0.0 114.25 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -119.1 -57.79 1.99 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.481 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 31.1 t80 -72.87 157.11 38.08 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.406 1.003 . . . . 0.0 108.792 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 6.4 t60 -152.83 154.03 34.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.365 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -156.83 152.77 27.28 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.606 172.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.1 p -143.61 157.84 44.11 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.46 144.34 31.32 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.474 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -146.64 161.36 40.72 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 119.153 0.888 . . . . 0.0 110.036 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.07 144.85 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 O-C-N 124.454 1.097 . . . . 0.0 108.711 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 p -159.41 142.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-O 117.064 -1.446 . . . . 0.0 109.698 171.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.8 t0 45.92 46.1 12.15 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.264 1.393 . . . . 0.0 112.111 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 50.7 38.6 36.78 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.867 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.56 166.11 22.85 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 tp -117.76 146.2 43.95 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.9 t -143.35 125.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -145.59 170.94 15.46 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 120.387 1.449 . . . . 0.0 111.373 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -157.45 144.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.852 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.6 p -130.43 161.33 31.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 m -152.62 150.11 29.15 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.283 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -137.44 69.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.67 -89.32 1.62 Allowed Glycine 0 C--N 1.354 1.579 0 CA-C-O 117.885 -1.508 . . . . 0.0 109.879 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.59 23.57 10.2 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.279 -1.845 . . . . 0.0 113.023 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.95 113.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.894 1.847 . . . . 0.0 108.292 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m -80.66 167.46 20.0 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.317 0.962 . . . . 0.0 109.401 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -149.46 79.96 1.39 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -54.78 164.43 0.78 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.839 0.712 . . . . 0.0 111.035 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -165.26 96.51 0.69 Allowed 'General case' 0 C--N 1.351 0.669 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 169.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.65 152.2 8.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -142.88 159.3 42.49 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.363 0.983 . . . . 0.0 110.435 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -135.76 160.76 37.55 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.354 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -90.18 145.69 24.84 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.356 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.53 -58.58 3.2 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.798 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 176.862 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -85.23 -86.58 0.13 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.826 -1.559 . . . . 0.0 107.53 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p 45.1 65.63 1.06 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.025 1.738 . . . . 0.0 112.776 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 174.99 44.31 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 118.728 -1.701 . . . . 0.0 113.404 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -80.69 161.34 24.67 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -153.77 148.91 26.88 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.243 -1.361 . . . . 0.0 108.594 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -113.14 145.02 41.66 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.3 mt -97.24 132.28 42.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.72 4.34 8.18 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.178 -1.867 . . . . 0.0 113.695 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -173.41 155.15 2.77 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.57 1.986 . . . . 0.0 111.924 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -133.23 -179.58 5.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -149.94 102.6 3.13 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 116.523 -1.703 . . . . 0.0 109.335 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 110.83 61.41 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 O-C-N 124.762 1.289 . . . . 0.0 110.008 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -95.79 3.4 53.79 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.759 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.56 -50.74 4.17 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.543 1.519 . . . . 0.0 109.732 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.61 -40.59 69.7 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.82 -50.4 69.06 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.03 -34.88 79.48 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.921 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -54.04 -52.15 61.77 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -73.48 -35.34 65.67 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.181 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -43.92 97.72 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -175.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 100.17 67.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.863 0.727 . . . . 0.0 111.891 168.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 154.12 48.31 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.883 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.8 162.9 39.93 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 122.928 2.082 . . . . 0.0 110.981 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 m -59.47 -45.18 92.39 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.229 -0.891 . . . . 0.0 113.108 -167.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.92 -44.39 86.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.612 1.096 . . . . 0.0 109.584 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.19 90.95 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.185 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.92 -51.8 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.32 -46.38 83.29 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.396 -1.288 . . . . 0.0 111.224 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -71.79 -32.26 67.45 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 120.263 1.392 . . . . 0.0 110.808 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -30.57 66.01 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.695 -1.622 . . . . 0.0 112.492 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -22.61 -49.76 0.02 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -155.94 48.54 0.5 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.541 1.064 . . . . 0.0 110.319 170.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 110.97 2.93 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 101.956 -3.35 . . . . 0.0 101.956 170.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 163.48 27.71 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -165.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.82 139.05 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 116.82 -1.562 . . . . 0.0 109.764 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.4 mt -97.54 141.19 16.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -121.57 161.82 21.7 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.622 0.577 . . . . 0.0 110.261 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -163.0 150.8 13.51 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.679 -1.153 . . . . 0.0 109.259 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.56 148.75 20.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.763 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -136.99 151.31 48.84 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -131.41 145.88 52.01 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.504 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -100.29 -112.83 0.18 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 115.932 -1.985 . . . . 0.0 105.861 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.32 -81.99 0.77 Allowed Glycine 0 C--N 1.357 1.711 0 CA-C-N 122.754 2.524 . . . . 0.0 107.201 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -116.86 27.68 9.0 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 117.755 0.778 . . . . 0.0 109.169 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.38 115.35 29.13 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -93.55 155.63 17.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -136.69 100.9 4.46 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -103.21 152.01 21.98 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.827 -1.083 . . . . 0.0 109.337 -169.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -153.24 114.45 4.17 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.344 -1.313 . . . . 0.0 112.453 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -112.27 138.29 49.19 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -136.01 112.83 10.22 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.019 1.281 . . . . 0.0 111.87 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -69.5 136.75 88.41 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-O 115.367 -2.254 . . . . 0.0 105.246 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.83 -37.24 21.21 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 124.051 2.482 . . . . 0.0 112.44 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.47 166.44 7.06 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.51 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.97 -37.15 28.75 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-O 118.648 -1.085 . . . . 0.0 113.41 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -67.61 154.47 41.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.992 1.396 . . . . 0.0 112.248 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -153.33 156.19 37.9 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.314 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -120.38 90.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 m -103.27 142.58 33.95 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.617 -1.182 . . . . 0.0 108.515 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -145.39 161.35 39.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.967 0.803 . . . . 0.0 109.268 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -147.17 134.19 20.33 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -161.3 161.97 30.8 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.862 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 p -106.89 153.93 21.8 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 124.365 1.041 . . . . 0.0 109.754 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.78 141.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.53 -159.04 38.79 Favored Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.406 -2.278 . . . . 0.0 107.406 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.0 tttt 55.34 -126.15 2.17 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 115.376 -2.25 . . . . 0.0 107.565 172.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -165.85 149.36 7.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 123.149 2.704 . . . . 0.0 110.918 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.5 p -143.1 175.8 9.59 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 111.384 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -126.05 151.78 46.69 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.637 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.1 152.56 35.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.576 -1.202 . . . . 0.0 108.107 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -144.11 84.4 1.77 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 -71.2 0.23 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.938 -1.029 . . . . 0.0 113.701 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.47 -55.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.646 1.112 . . . . 0.0 108.272 -170.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.48 135.45 1.9 Allowed Glycine 0 C--N 1.353 1.514 0 CA-C-O 118.038 -1.423 . . . . 0.0 111.744 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 16.82 68.0 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 119.614 1.707 . . . . 0.0 112.682 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -136.03 66.4 1.5 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.77 1.785 . . . . 0.0 107.06 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -68.31 143.47 55.19 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.85 166.65 20.42 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -113.47 151.07 31.93 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.31 142.75 14.64 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.859 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 p -103.59 86.18 2.58 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 t -52.81 140.33 8.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 C-N-CA 119.446 -0.902 . . . . 0.0 108.678 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -131.84 167.15 20.06 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.71 133.8 34.6 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.692 -1.147 . . . . 0.0 108.551 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -140.31 127.6 21.17 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.1 -155.66 52.47 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -171.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.86 55.25 1.62 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.349 -1.901 . . . . 0.0 108.349 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -151.37 121.11 7.01 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.155 -1.402 . . . . 0.0 108.983 -171.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.45 146.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 120.04 1.291 . . . . 0.0 108.963 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.14 155.44 38.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.11 154.1 30.4 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.893 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.45 136.96 35.16 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.425 -1.274 . . . . 0.0 108.682 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -138.42 159.8 66.31 Favored Pre-proline 0 C--N 1.356 0.864 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.932 -174.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -44.19 -44.44 12.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 CA-C-N 123.102 2.144 . . . . 0.0 114.794 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -145.85 52.7 1.16 Allowed 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.694 1.134 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 78.3 t80 -171.01 71.11 0.05 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -70.55 147.05 49.73 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -151.66 150.71 30.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.623 -1.18 . . . . 0.0 109.815 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.6 p -148.97 162.43 39.91 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.549 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.04 159.7 42.16 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.369 1.043 . . . . 0.0 109.736 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -152.1 150.91 30.43 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.502 -166.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mm -120.81 127.24 75.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.401 -1.285 . . . . 0.0 107.87 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.96 152.87 11.7 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.744 -1.122 . . . . 0.0 108.878 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 47.93 37.6 7.79 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.462 1.028 . . . . 0.0 113.109 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 55.42 39.03 71.75 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.047 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -137.66 166.94 22.72 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.8 tt -114.87 125.09 53.25 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.32 149.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.67 157.86 37.34 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 119.431 1.014 . . . . 0.0 111.026 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.87 165.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 118.73 0.695 . . . . 0.0 110.062 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 m -142.36 146.14 34.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 163.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.3 m -152.24 154.51 35.91 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 119.666 1.121 . . . . 0.0 110.011 -171.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -143.65 60.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.32 15.03 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.669 -1.073 . . . . 0.0 112.373 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.01 -64.56 0.49 Allowed Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.3 t -92.38 137.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.8 p -111.42 166.45 11.11 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -143.21 65.57 1.33 Allowed 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.67 146.09 26.69 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.219 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -154.26 159.92 41.54 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.301 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.21 162.85 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.519 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 m -155.21 152.44 29.35 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.654 -171.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -97.56 165.58 11.92 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.287 0.992 . . . . 0.0 108.664 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . 0.26 1.7 pt? -155.94 51.29 0.54 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.131 0.878 . . . . 0.0 111.608 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.761 0 CA-C-O 120.731 0.301 . . . . 0.0 110.479 174.492 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.627 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -59.11 -46.02 89.39 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.321 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 t -48.81 147.99 2.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.929 1.24 . . . . 0.0 111.963 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.88 15.18 Favored Glycine 0 C--N 1.358 1.788 0 CA-C-N 119.345 0.975 . . . . 0.0 112.017 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -95.5 152.65 18.23 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -148.04 157.41 43.5 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -130.6 161.35 31.76 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 tt -97.73 134.78 34.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-O 117.612 -1.185 . . . . 0.0 108.281 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.4 -61.05 2.04 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 168.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -157.98 157.55 33.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.48 -0.772 . . . . 0.0 110.079 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -92.22 170.94 9.41 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.671 -1.157 . . . . 0.0 107.906 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -154.77 136.23 14.19 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.76 1.164 . . . . 0.0 110.751 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 59.61 43.23 16.08 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.644 1.111 . . . . 0.0 110.744 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 25.4 p90 -82.75 -44.13 15.96 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 10.9 p-10 -61.99 -45.67 92.59 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 118.125 -0.94 . . . . 0.0 112.301 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -71.91 -29.95 64.86 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.806 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.71 -49.21 55.51 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.2 mtt -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.086 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -50.57 73.28 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.48 -37.28 83.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.224 -1.369 . . . . 0.0 110.785 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.19 -40.72 64.62 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.919 1.69 . . . . 0.0 107.701 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 92.05 59.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.709 1.256 . . . . 0.0 108.542 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.42 145.18 29.23 Favored Pre-proline 0 C--N 1.357 0.925 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.07 -76.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 123.673 2.347 . . . . 0.0 115.255 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -161.6 -59.39 0.05 OUTLIER 'General case' 0 C--N 1.355 0.813 0 CA-C-N 121.034 1.743 . . . . 0.0 111.246 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.36 -39.45 76.02 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.41 1.459 . . . . 0.0 107.725 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.1 83.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.595 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.93 -50.44 79.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.35 -42.44 91.54 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 117.628 -1.177 . . . . 0.0 112.52 -172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -30.44 66.27 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.712 1.596 . . . . 0.0 110.698 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.194 0.906 . . . . 0.0 111.047 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -55.61 150.54 12.12 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.291 0.95 . . . . 0.0 109.383 175.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.77 34.7 7.86 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 161.22 30.72 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.847 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -126.18 62.78 1.25 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -72.21 141.12 16.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.621 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.65 133.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 159.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -101.59 111.04 23.15 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -122.93 139.15 54.36 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.655 1.571 . . . . 0.0 107.462 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.86 152.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.829 -1.081 . . . . 0.0 108.553 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -126.2 147.86 49.57 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 169.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.27 139.7 53.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -141.39 -138.72 0.12 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.484 -1.722 . . . . 0.0 109.208 -174.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.86 96.0 0.18 Allowed Glycine 0 C--N 1.355 1.618 0 CA-C-N 122.619 2.463 . . . . 0.0 109.718 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 38.83 34.84 0.1 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 119.076 1.438 . . . . 0.0 112.436 -175.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -131.75 158.12 42.02 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 31.7 m-85 -139.14 139.33 37.6 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.588 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.2 m -117.8 84.21 2.13 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 101.88 -3.378 . . . . 0.0 101.88 168.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -99.47 135.8 40.36 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.642 -1.647 . . . . 0.0 107.237 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -148.07 160.98 42.3 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.324 1.42 . . . . 0.0 111.368 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -133.23 119.75 20.24 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -85.82 71.05 10.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.982 1.265 . . . . 0.0 109.765 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.54 138.38 76.2 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.093 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.96 -179.36 4.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 122.609 1.968 . . . . 0.0 114.371 -169.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.73 13.39 83.09 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.913 -1.493 . . . . 0.0 111.998 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.28 48.84 65.34 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 120.248 2.024 . . . . 0.0 110.347 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -138.27 55.55 1.75 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -54.82 143.78 24.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.552 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.64 78.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 m -71.0 149.39 46.69 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.127 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -147.03 72.71 1.28 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.6 m -73.45 128.68 36.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 20.9 p90 -150.36 159.08 44.72 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 119.886 1.221 . . . . 0.0 112.149 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.9 m -131.25 140.34 49.82 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.43 145.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.079 -0.962 . . . . 0.0 108.82 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.03 -58.37 2.09 Favored Glycine 0 C--N 1.357 1.711 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.75 161.86 17.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.523 1.162 . . . . 0.0 111.401 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.12 119.93 19.01 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 170.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 m -99.06 147.09 25.4 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 119.587 1.085 . . . . 0.0 110.763 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.04 145.62 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 mm -142.69 143.85 25.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.852 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.98 177.23 5.88 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 m -130.75 -62.68 0.9 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.918 -1.515 . . . . 0.0 110.396 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.2 tp 173.82 -46.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.171 1.35 . . . . 0.0 109.812 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 65.74 3.77 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.23 35.41 34.49 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 117.558 -1.69 . . . . 0.0 113.097 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -90.34 157.45 17.63 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.456 1.628 . . . . 0.0 109.125 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -167.15 108.15 0.63 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.14 158.86 43.71 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 119.294 0.952 . . . . 0.0 108.927 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -88.51 151.32 22.6 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.83 149.47 14.61 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.22 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -87.87 140.49 29.45 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.566 -1.207 . . . . 0.0 110.523 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -102.06 143.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.74 164.06 32.15 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 166.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.0 142.52 47.29 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.858 -171.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.13 151.07 20.83 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.788 -1.101 . . . . 0.0 110.13 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.9 -145.74 19.77 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.961 -1.655 . . . . 0.0 108.961 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.05 53.68 0.94 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -144.39 164.51 30.6 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 117.726 0.763 . . . . 0.0 110.041 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 p -119.3 143.86 29.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.74 114.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.824 1.193 . . . . 0.0 109.949 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 145.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 162.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -153.05 66.63 0.79 Allowed 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 118.531 -1.268 . . . . 0.0 112.389 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.4 p -89.89 139.92 27.65 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-O 115.701 -2.095 . . . . 0.0 105.43 167.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -46.17 -42.4 21.52 Favored 'Trans proline' 0 C--N 1.358 1.032 0 CA-C-N 123.299 2.214 . . . . 0.0 114.505 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -78.41 -64.73 1.1 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.029 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -96.09 79.79 3.23 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.92 147.56 40.84 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -159.59 155.27 25.97 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.491 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -145.03 164.61 30.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 150.89 37.02 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 124.946 1.404 . . . . 0.0 107.491 166.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.83 156.47 36.26 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.108 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.7 mm -102.89 146.5 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 170.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.26 131.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.906 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.73 -88.74 0.02 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-N 119.378 0.99 . . . . 0.0 109.932 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.62 47.61 0.54 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -146.44 165.25 29.95 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -110.96 143.52 41.5 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.81 148.31 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 159.47 36.72 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.838 1.199 . . . . 0.0 111.483 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.95 161.96 8.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.154 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -129.02 144.64 51.25 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 164.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 m -142.97 150.39 39.63 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.316 1.416 . . . . 0.0 110.606 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -134.96 61.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.93 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.44 -84.98 0.43 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.45 -57.31 2.63 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.803 -0.998 . . . . 0.0 112.405 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.66 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 118.335 1.068 . . . . 0.0 109.364 -169.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.2 p -119.06 164.59 15.3 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 124.174 0.921 . . . . 0.0 109.756 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 76.87 1.62 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.42 152.41 32.21 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.728 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -143.13 157.19 44.74 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.0 152.98 37.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.631 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 m -155.53 165.67 35.87 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 118.845 0.748 . . . . 0.0 111.353 -170.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 167.52 17.17 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.04 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -103.84 134.79 46.55 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.794 -1.098 . . . . 0.0 111.877 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 4.9 tt -86.91 -57.53 2.94 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 170.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 126' ' ' LEU . . . . . . . . 0 C--N 1.358 0.964 0 O-C-N 124.585 1.178 . . . . 0.0 108.163 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.596 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.551 -2.759 . . . . 0.0 103.551 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p 39.63 68.42 0.38 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.868 0.73 . . . . 0.0 112.48 166.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.04 -172.03 39.63 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.333 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -123.38 156.18 35.91 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.504 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -147.1 131.85 17.94 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.336 -1.316 . . . . 0.0 109.61 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -97.77 142.06 30.01 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 tt -62.06 144.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 119.223 0.92 . . . . 0.0 109.422 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.05 -59.48 1.89 Allowed 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -176.14 71.95 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 164.23 10.65 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.952 -175.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -136.54 166.72 22.85 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 57.51 25.4 11.44 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.509 -1.234 . . . . 0.0 113.665 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -69.21 -43.28 74.44 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 171.582 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.56 -50.53 71.61 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.446 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.8 -40.08 83.94 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.836 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.59 -48.71 68.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.832 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.6 ttm -68.73 -36.74 78.8 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.499 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -37.77 71.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -63.37 -41.55 98.82 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.233 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.92 -44.98 93.98 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.346 . . 108.87 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.32 156.73 0.1 OUTLIER Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 117.362 -1.304 . . . . 0.0 110.702 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.28 165.7 16.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 124.283 2.565 . . . . 0.0 110.733 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -66.23 -33.76 76.47 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.644 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.84 -50.86 32.63 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.298 0.954 . . . . 0.0 108.697 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.53 64.79 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.806 0.73 . . . . 0.0 111.211 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.67 -48.28 88.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.3 -35.78 81.97 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.576 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -70.2 -41.78 73.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.297 1.408 . . . . 0.0 108.97 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -60.99 151.48 30.41 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 82.16 -51.85 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.782 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.41 153.99 40.2 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.338 0.972 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -126.01 110.74 13.92 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.46 141.35 17.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 120.503 1.501 . . . . 0.0 107.525 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -102.59 101.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 170.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -74.97 157.12 35.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -174.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -160.64 141.36 11.68 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 117.523 -1.227 . . . . 0.0 109.119 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -145.41 164.48 11.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -157.21 131.39 8.38 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.679 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -81.4 150.31 28.44 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.442 1.019 . . . . 0.0 109.375 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.1 55.96 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.56 73.44 1.06 Allowed Glycine 0 C--N 1.356 1.665 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 50.47 51.76 16.19 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.89 104.32 1.92 Allowed 'General case' 0 C--N 1.351 0.67 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -87.82 99.9 12.46 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 m -70.64 94.34 1.0 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 171.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -90.49 154.43 19.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.432 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.2 m -151.6 157.85 42.73 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.022 0.828 . . . . 0.0 112.506 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -134.72 87.77 2.38 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -82.78 98.98 9.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.356 -168.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.21 143.52 97.65 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 115.901 -1.999 . . . . 0.0 106.048 169.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.85 -39.69 39.39 Favored 'Trans proline' 0 C--N 1.358 1.055 0 CA-C-N 123.542 2.301 . . . . 0.0 115.948 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.23 -172.44 10.82 Favored Glycine 0 C--N 1.354 1.531 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.481 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -33.56 44.87 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.498 -1.168 . . . . 0.0 111.057 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -55.54 150.31 12.3 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.78 1.29 . . . . 0.0 109.901 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 p -170.11 93.78 0.23 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.5 146.73 11.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 119.272 -0.971 . . . . 0.0 108.671 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -123.63 142.03 51.44 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -135.26 73.65 1.48 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -63.68 129.11 38.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 117.633 -1.175 . . . . 0.0 108.377 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -148.34 166.91 26.62 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.196 0.907 . . . . 0.0 109.429 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 50.8 m -126.09 145.23 50.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.414 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -73.96 98.03 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.477 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.58 -58.54 0.52 Allowed Glycine 0 C--N 1.358 1.757 0 CA-C-N 119.53 1.059 . . . . 0.0 112.87 170.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -69.01 164.54 22.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 117.621 0.71 . . . . 0.0 111.472 -170.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -72.35 99.1 2.35 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.9 m -79.89 156.3 27.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.861 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -105.13 139.77 39.31 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.22 154.32 39.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.53 176.91 11.49 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.355 -168.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.33 15.2 t 56.98 -175.26 0.06 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.804 1.315 . . . . 0.0 109.977 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.8 mm 65.14 -78.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -169.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 -29.06 59.96 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.07 -1.406 . . . . 0.0 111.542 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.3 -64.77 0.8 Allowed Glycine 0 C--N 1.355 1.626 0 N-CA-C 106.735 -2.546 . . . . 0.0 106.735 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.05 120.97 8.92 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.56 -1.21 . . . . 0.0 107.926 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -67.61 159.54 29.71 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.0 1.273 . . . . 0.0 109.664 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -132.68 157.34 45.1 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 118.274 -0.869 . . . . 0.0 109.709 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -88.7 165.48 14.72 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 165.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.21 159.1 35.71 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.325 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -123.49 88.21 2.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.43 139.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.78 148.4 8.87 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.531 169.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 75.7 mtp -92.68 156.32 17.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.92 0.782 . . . . 0.0 109.374 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.72 55.79 0.68 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.63 -150.59 19.94 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.96 56.3 3.68 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -165.15 160.87 19.1 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.319 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.28 134.5 57.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 124.489 1.118 . . . . 0.0 109.519 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.0 141.7 21.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.291 0.5 OUTLIER -139.71 76.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -79.49 164.11 24.18 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.294 -171.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -162.57 150.8 12.01 Favored Pre-proline 0 C--N 1.352 0.713 0 CA-C-O 115.623 -2.132 . . . . 0.0 108.88 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.23 -27.19 48.72 Favored 'Trans proline' 0 C--N 1.359 1.09 0 CA-C-N 124.205 2.537 . . . . 0.0 113.638 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -139.01 40.91 2.13 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 121.306 1.866 . . . . 0.0 111.217 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 45.7 t80 -176.06 62.82 0.02 OUTLIER 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -64.3 131.32 46.97 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -132.73 154.9 49.75 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -165.43 151.4 9.61 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 119.271 0.941 . . . . 0.0 109.446 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.85 161.15 40.65 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -157.28 114.94 3.11 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.809 -166.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.5 mm -83.27 140.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 170.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.3 141.33 7.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.075 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 37.04 47.19 0.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.22 47.08 92.54 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.727 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -157.94 137.7 12.18 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.22 -1.848 . . . . 0.0 107.604 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 tp -98.18 118.66 35.3 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.809 1.64 . . . . 0.0 108.112 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.43 147.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.74 130.36 25.78 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.77 -1.586 . . . . 0.0 107.761 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -131.58 147.88 32.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 119.827 1.194 . . . . 0.0 108.754 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 m -143.95 154.87 43.76 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 116.82 -1.562 . . . . 0.0 107.828 173.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 m -145.79 145.83 30.95 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.871 1.214 . . . . 0.0 110.157 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.0 51.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 123.692 0.62 . . . . 0.0 109.937 -168.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.09 -78.13 0.4 Allowed Glycine 0 C--N 1.354 1.532 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.52 25.67 3.11 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.645 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 66.8 t -141.99 93.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.721 1.761 . . . . 0.0 106.248 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -70.41 158.5 35.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.37 63.41 1.63 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.73 131.52 47.08 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -151.81 157.81 42.43 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 118.57 0.623 . . . . 0.0 109.81 171.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.68 152.71 20.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.2 p -138.46 129.53 27.01 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -78.85 126.27 30.48 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -77.95 112.18 14.58 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.35 -51.5 6.52 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.639 1.109 . . . . 0.0 109.894 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.782 0 CA-C-N 119.627 1.103 . . . . 0.0 111.137 -178.676 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -66.51 -56.28 11.58 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 m 46.02 73.02 0.19 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 167.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.98 177.37 48.25 Favored Glycine 0 C--N 1.353 1.49 0 C-N-CA 119.45 -1.357 . . . . 0.0 112.912 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -101.06 159.19 15.43 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 172.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -149.62 114.29 5.31 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.94 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.65 124.38 30.77 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.97 1.259 . . . . 0.0 109.636 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.16 142.36 16.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 119.482 1.037 . . . . 0.0 108.986 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.67 -57.15 2.1 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.027 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -123.92 152.85 41.98 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -138.93 61.56 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.31 151.36 35.03 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.023 -168.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 55.85 49.05 16.81 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.631 0.651 . . . . 0.0 110.112 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -94.53 -38.46 10.88 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 117.443 -1.265 . . . . 0.0 108.883 172.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.49 -52.72 63.67 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 121.259 1.845 . . . . 0.0 112.472 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -66.39 -43.7 85.1 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.439 -173.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.93 -46.41 84.89 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.269 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.9 tpp -69.12 -28.28 66.33 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.003 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -68.33 -35.38 77.69 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.023 1.283 . . . . 0.0 110.226 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.55 -50.5 71.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.658 1.572 . . . . 0.0 107.976 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.86 -37.42 76.48 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.06 57.31 0.05 Allowed 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.5 150.78 47.18 Favored Pre-proline 0 C--N 1.353 0.761 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.21 171.96 9.51 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 123.919 2.435 . . . . 0.0 112.223 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 t -57.93 -46.75 84.55 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.941 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -56.67 -48.55 77.36 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.327 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.05 77.98 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.781 0.719 . . . . 0.0 110.088 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.99 -48.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.29 -35.66 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.77 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.57 -43.36 99.0 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.373 1.442 . . . . 0.0 108.515 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.61 -42.08 78.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.392 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.27 -66.98 0.45 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.252 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.25 -35.19 36.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.632 -164.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.49 161.75 28.86 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.017 1.735 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -109.0 93.26 4.42 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -172.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.3 132.4 29.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.427 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.3 mm -102.19 98.86 7.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 103.984 -2.599 . . . . 0.0 103.984 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -72.82 153.33 41.12 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -154.31 144.46 21.98 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.022 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.38 143.61 24.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.002 -1.475 . . . . 0.0 108.091 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -133.09 123.13 25.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -83.84 144.6 29.15 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.85 61.18 1.68 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.192 0.906 . . . . 0.0 109.813 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.62 80.69 0.15 Allowed Glycine 0 C--N 1.355 1.635 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 52.36 57.89 5.97 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.533 1.166 . . . . 0.0 108.098 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -166.66 147.25 6.0 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 170.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -133.97 92.08 2.91 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 107.437 -1.319 . . . . 0.0 107.437 -173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.4 m -73.6 93.05 1.99 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -90.32 155.86 18.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.806 -1.092 . . . . 0.0 108.84 -175.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.6 t -154.52 152.74 30.44 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.232 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -127.54 96.86 4.67 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.43 118.78 34.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.318 -1.325 . . . . 0.0 108.674 -167.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -94.55 122.37 61.1 Favored Pre-proline 0 C--N 1.355 0.834 0 CA-C-O 114.504 -2.665 . . . . 0.0 104.255 -178.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -36.44 89.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 CA-C-N 123.937 2.442 . . . . 0.0 116.063 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 77.64 150.15 4.09 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.827 -0.985 . . . . 0.0 111.044 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.3 -85.27 1.56 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.522 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -104.73 79.72 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.33 1.065 . . . . 0.0 110.536 -169.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.8 p -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.381 -1.295 . . . . 0.0 108.367 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -108.18 149.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 119.69 1.132 . . . . 0.0 108.272 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 m -125.89 151.94 46.22 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -143.55 73.96 1.41 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -64.92 131.93 48.0 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.772 -1.108 . . . . 0.0 108.679 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -150.78 166.38 30.65 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.186 0.903 . . . . 0.0 109.592 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.3 m -136.86 151.38 49.04 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.969 -173.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.59 138.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.607 1.094 . . . . 0.0 111.119 -173.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.08 8.49 58.52 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 116.674 -2.181 . . . . 0.0 116.151 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -92.88 -54.71 3.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 121.027 2.414 . . . . 0.0 109.821 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 121.2 84.5 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.57 150.08 26.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -101.44 129.13 47.41 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.7 mt -121.81 150.19 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-N 119.982 1.265 . . . . 0.0 109.442 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -131.04 127.87 39.15 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 167.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -90.32 77.5 6.61 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.007 1.276 . . . . 0.0 108.417 -172.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.251 0.0 OUTLIER 44.92 87.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 O-C-N 123.908 0.755 . . . . 0.0 111.951 176.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.83 56.57 8.07 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.444 172.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.14 -169.39 15.67 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -68.17 164.63 19.99 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -144.04 159.65 42.23 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.341 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -88.82 159.27 17.81 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 164.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.87 85.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 m -67.19 81.9 0.13 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.52 143.95 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.844 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -157.6 114.65 2.98 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.56 -1.209 . . . . 0.0 109.957 -171.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.81 154.6 38.24 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.685 1.584 . . . . 0.0 109.262 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -145.82 67.02 1.2 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.96 56.82 3.93 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.58 -59.25 2.56 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.15 151.82 45.13 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 118.773 1.287 . . . . 0.0 109.511 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.0 p -98.24 146.45 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 117.473 -1.251 . . . . 0.0 107.913 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.32 101.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.86 147.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 166.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -149.88 132.14 15.5 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.619 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 m -144.86 160.64 46.22 Favored Pre-proline 0 C--N 1.358 0.955 0 CA-C-O 116.043 -1.932 . . . . 0.0 108.236 -174.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.74 -22.46 49.86 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 123.605 2.323 . . . . 0.0 112.161 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -147.39 54.98 1.08 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.59 1.541 . . . . 0.0 109.933 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 97' ' ' TYR . 20.2 t80 167.08 67.15 0.0 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -85.18 145.7 27.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -151.01 149.3 29.4 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.928 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -145.97 157.31 43.88 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 119.861 1.209 . . . . 0.0 108.743 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.03 153.17 41.19 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 124.274 0.984 . . . . 0.0 109.029 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -154.04 131.32 11.18 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 116.871 -1.538 . . . . 0.0 108.231 -163.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mp -111.84 146.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.2 t -141.57 110.15 2.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 50.03 42.01 24.12 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.95 1.705 . . . . 0.0 112.071 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.82 -12.32 17.2 Favored Glycine 0 C--N 1.356 1.654 0 CA-C-O 117.657 -1.635 . . . . 0.0 114.221 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.93 130.01 34.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.518 2.159 . . . . 0.0 105.207 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 tt -104.94 144.52 31.68 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.919 1.236 . . . . 0.0 107.688 -168.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.6 p -154.56 145.49 13.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.445 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.65 171.15 17.59 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.244 0.929 . . . . 0.0 112.537 -168.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.74 150.01 12.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.645 171.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.53 165.54 24.96 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 118.508 0.595 . . . . 0.0 110.228 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -153.81 147.07 24.75 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 117.644 -1.17 . . . . 0.0 108.766 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.02 56.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.581 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 44.62 50.4 8.38 Favored Glycine 0 C--N 1.355 1.638 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.017 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.24 -58.2 0.11 Allowed Glycine 0 C--N 1.35 1.341 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.499 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.5 m -141.02 159.03 23.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.149 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.3 t -103.09 166.3 10.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.006 0.816 . . . . 0.0 109.257 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -140.76 90.56 2.35 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 123.775 0.672 . . . . 0.0 109.61 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -71.31 142.5 50.45 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.116 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -139.59 153.55 47.4 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.1 p -152.86 144.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 119.89 1.223 . . . . 0.0 111.717 -173.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -156.34 169.84 23.66 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.217 0.917 . . . . 0.0 111.212 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 153.55 42.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 120.171 -0.611 . . . . 0.0 112.455 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.26 133.34 52.59 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.41 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -113.18 -63.36 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.62 0.646 . . . . 0.0 111.032 177.364 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.539 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' THR . 74.3 m-85 74.61 -72.03 0.12 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.993 -1.479 . . . . 0.0 111.019 176.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' PHE . 6.9 t -35.26 132.46 0.38 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.096 1.317 . . . . 0.0 113.223 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 171.54 15.31 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -98.07 151.28 20.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.491 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -151.44 156.81 41.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.318 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.82 154.62 47.84 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 123.876 0.735 . . . . 0.0 110.936 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -84.27 98.1 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.77 -40.91 85.31 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -155.25 160.49 40.86 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.897 0.771 . . . . 0.0 111.032 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -175.96 138.85 0.37 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 115.77 -2.062 . . . . 0.0 108.129 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -140.33 51.01 1.68 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 121.43 1.923 . . . . 0.0 111.979 -174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -152.34 35.68 0.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -84.07 -34.53 24.18 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 14' ' ' TYR . 13.2 p-10 -67.78 -44.57 77.1 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 119.19 0.904 . . . . 0.0 109.859 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -65.7 -34.18 77.61 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.16 -41.75 99.3 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.965 -1.017 . . . . 0.0 111.159 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -56.41 -41.36 76.19 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.704 1.138 . . . . 0.0 109.088 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.9 -29.32 62.91 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.059 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 68.89 55.72 0.44 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.492 0.587 . . . . 0.0 110.451 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -92.12 147.36 34.56 Favored Pre-proline 0 C--N 1.355 0.83 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 169.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.46 163.64 33.95 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.028 2.474 . . . . 0.0 111.54 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 m -57.5 -39.21 75.98 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.527 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -51.58 -49.83 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.486 -0.885 . . . . 0.0 108.903 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.66 81.23 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.457 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.22 -49.5 66.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -57.69 -30.81 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.026 -1.07 . . . . 0.0 110.954 -175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.53 -47.57 72.49 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.048 1.295 . . . . 0.0 108.857 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.74 5.43 21.39 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.366 -1.302 . . . . 0.0 114.001 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -78.51 150.06 32.99 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.77 1.623 . . . . 0.0 106.712 171.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 55.65 58.43 4.52 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 tp -147.47 142.38 26.9 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -133.93 177.44 7.73 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.05 142.44 42.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.083 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.5 mt -95.17 114.27 31.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 124.28 37.42 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -124.34 116.26 22.33 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.51 138.41 35.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -126.68 100.28 6.14 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.24 151.21 47.5 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -144.11 72.06 1.34 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.57 -105.98 2.88 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 106.32 -2.712 . . . . 0.0 106.32 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -123.26 40.09 3.8 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.632 1.716 . . . . 0.0 108.588 169.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -123.65 153.74 40.34 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.79 102.76 5.17 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 119.094 0.861 . . . . 0.0 108.929 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -78.57 91.53 4.6 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.307 -2.849 . . . . 0.0 103.307 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -92.38 90.06 7.07 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m -74.6 148.45 40.75 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.09 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -128.3 85.33 2.33 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -91.26 95.08 9.84 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -159.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -57.32 147.49 57.95 Favored Pre-proline 0 C--N 1.353 0.75 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.858 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.67 174.36 9.54 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.329 1.867 . . . . 0.0 108.526 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.25 -55.96 1.5 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.86 -50.51 0.38 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.34 1.07 . . . . 0.0 111.576 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.46 154.14 17.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 117.66 0.73 . . . . 0.0 111.692 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 p -136.16 154.75 50.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.898 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.46 64.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 176.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.4 t -59.96 159.38 9.34 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.741 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -125.74 74.51 1.42 Allowed 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 m -62.39 117.11 5.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -141.38 161.84 36.91 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.66 1.118 . . . . 0.0 111.98 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -125.21 152.09 44.99 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.446 1.091 . . . . 0.0 108.756 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.37 142.9 15.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.836 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.71 43.49 94.45 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.701 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -127.85 155.59 43.89 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.63 78.73 1.5 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.18 140.42 46.99 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.837 -1.077 . . . . 0.0 111.613 -169.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.45 132.65 34.95 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mm -118.48 81.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.6 148.49 38.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 m -132.73 149.01 52.34 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.334 1.021 . . . . 0.0 109.741 -172.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.3 155.5 3.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.06 46.56 65.01 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 119.32 -1.419 . . . . 0.0 109.957 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.65 -170.92 31.04 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.245 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.259 18.2 ptpt 54.08 155.11 0.0 OUTLIER 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -139.18 171.0 14.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 97' ' ' TYR . 8.3 m-85 -128.62 105.08 8.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.035 -0.984 . . . . 0.0 108.861 171.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.28 125.02 25.11 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 170.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.07 160.23 44.03 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.353 0.979 . . . . 0.0 111.147 -166.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -100.9 114.19 27.83 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.418 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 t -79.91 154.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -157.34 113.05 2.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.027 -1.94 . . . . 0.0 108.223 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 85' ' ' MET . 3.4 ppp? -108.48 148.14 30.65 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.592 1.542 . . . . 0.0 110.651 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.99 108.89 3.87 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 118.172 -0.918 . . . . 0.0 108.918 -174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.8 -103.85 1.61 Allowed Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.64 -1.644 . . . . 0.0 109.472 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.03 47.7 1.0 Allowed Glycine 0 C--N 1.355 1.639 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.68 162.29 36.34 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.303 -1.332 . . . . 0.0 108.817 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . 0.278 10.2 p -137.05 130.22 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.232 166.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.51 148.69 13.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 147.75 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 167.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -156.07 149.04 24.22 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.312 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 p -136.98 177.4 2.2 Favored Pre-proline 0 C--N 1.356 0.882 0 CA-C-O 116.224 -1.846 . . . . 0.0 107.755 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -51.93 -39.18 69.45 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.594 2.319 . . . . 0.0 114.25 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -119.1 -57.79 1.99 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.481 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 31.1 t80 -72.87 157.11 38.08 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.406 1.003 . . . . 0.0 108.792 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 6.4 t60 -152.83 154.03 34.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.365 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -156.83 152.77 27.28 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.606 172.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.1 p -143.61 157.84 44.11 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.46 144.34 31.32 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.474 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -146.64 161.36 40.72 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 119.153 0.888 . . . . 0.0 110.036 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.07 144.85 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 O-C-N 124.454 1.097 . . . . 0.0 108.711 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 p -159.41 142.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-O 117.064 -1.446 . . . . 0.0 109.698 171.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.8 t0 45.92 46.1 12.15 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.264 1.393 . . . . 0.0 112.111 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 50.7 38.6 36.78 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.867 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.56 166.11 22.85 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 tp -117.76 146.2 43.95 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.9 t -143.35 125.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -145.59 170.94 15.46 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 120.387 1.449 . . . . 0.0 111.373 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -157.45 144.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.852 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.6 p -130.43 161.33 31.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 m -152.62 150.11 29.15 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.283 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -137.44 69.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.67 -89.32 1.62 Allowed Glycine 0 C--N 1.354 1.579 0 CA-C-O 117.885 -1.508 . . . . 0.0 109.879 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.59 23.57 10.2 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.279 -1.845 . . . . 0.0 113.023 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.95 113.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.894 1.847 . . . . 0.0 108.292 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m -80.66 167.46 20.0 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.317 0.962 . . . . 0.0 109.401 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -149.46 79.96 1.39 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -54.78 164.43 0.78 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.839 0.712 . . . . 0.0 111.035 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -165.26 96.51 0.69 Allowed 'General case' 0 C--N 1.351 0.669 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 169.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.65 152.2 8.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -142.88 159.3 42.49 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.363 0.983 . . . . 0.0 110.435 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -135.76 160.76 37.55 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.354 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -90.18 145.69 24.84 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.356 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.53 -58.58 3.2 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.798 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 176.862 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 116.826 -1.559 . . . . 0.0 107.53 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p 45.1 65.63 1.06 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.025 1.738 . . . . 0.0 112.776 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 174.99 44.31 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 118.728 -1.701 . . . . 0.0 113.404 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -80.69 161.34 24.67 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -153.77 148.91 26.88 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.243 -1.361 . . . . 0.0 108.594 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -113.14 145.02 41.66 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.3 mt -97.24 132.28 42.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.72 4.34 8.18 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.178 -1.867 . . . . 0.0 113.695 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -173.41 155.15 2.77 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.57 1.986 . . . . 0.0 111.924 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -133.23 -179.58 5.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -149.94 102.6 3.13 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 116.523 -1.703 . . . . 0.0 109.335 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 110.83 61.41 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 O-C-N 124.762 1.289 . . . . 0.0 110.008 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -95.79 3.4 53.79 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.759 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.56 -50.74 4.17 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.543 1.519 . . . . 0.0 109.732 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.61 -40.59 69.7 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.82 -50.4 69.06 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.03 -34.88 79.48 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.921 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -54.04 -52.15 61.77 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -73.48 -35.34 65.67 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.181 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.8 OUTLIER -62.31 -43.92 97.72 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . 100.17 67.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.863 0.727 . . . . 0.0 111.891 168.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 154.12 48.31 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.883 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.8 162.9 39.93 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 122.928 2.082 . . . . 0.0 110.981 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 m -59.47 -45.18 92.39 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.229 -0.891 . . . . 0.0 113.108 -167.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.92 -44.39 86.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.612 1.096 . . . . 0.0 109.584 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.19 90.95 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.185 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.92 -51.8 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.32 -46.38 83.29 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.396 -1.288 . . . . 0.0 111.224 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -71.79 -32.26 67.45 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 120.263 1.392 . . . . 0.0 110.808 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -30.57 66.01 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.695 -1.622 . . . . 0.0 112.492 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -22.61 -49.76 0.02 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -155.94 48.54 0.5 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.541 1.064 . . . . 0.0 110.319 170.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 110.97 2.93 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 101.956 -3.35 . . . . 0.0 101.956 170.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 163.48 27.71 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -165.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.82 139.05 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 116.82 -1.562 . . . . 0.0 109.764 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.4 mt -97.54 141.19 16.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -121.57 161.82 21.7 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.622 0.577 . . . . 0.0 110.261 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -163.0 150.8 13.51 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.679 -1.153 . . . . 0.0 109.259 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.56 148.75 20.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.763 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -136.99 151.31 48.84 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -131.41 145.88 52.01 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.504 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -100.29 -112.83 0.18 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 115.932 -1.985 . . . . 0.0 105.861 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.32 -81.99 0.77 Allowed Glycine 0 C--N 1.357 1.711 0 CA-C-N 122.754 2.524 . . . . 0.0 107.201 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -116.86 27.68 9.0 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 117.755 0.778 . . . . 0.0 109.169 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.38 115.35 29.13 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -93.55 155.63 17.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -136.69 100.9 4.46 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -103.21 152.01 21.98 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.827 -1.083 . . . . 0.0 109.337 -169.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -153.24 114.45 4.17 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.344 -1.313 . . . . 0.0 112.453 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -112.27 138.29 49.19 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -136.01 112.83 10.22 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.019 1.281 . . . . 0.0 111.87 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -69.5 136.75 88.41 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-O 115.367 -2.254 . . . . 0.0 105.246 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.83 -37.24 21.21 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 124.051 2.482 . . . . 0.0 112.44 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.47 166.44 7.06 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.51 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.97 -37.15 28.75 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-O 118.648 -1.085 . . . . 0.0 113.41 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -67.61 154.47 41.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.992 1.396 . . . . 0.0 112.248 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -153.33 156.19 37.9 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.314 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -120.38 90.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 m -103.27 142.58 33.95 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.617 -1.182 . . . . 0.0 108.515 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -145.39 161.35 39.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.967 0.803 . . . . 0.0 109.268 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -147.17 134.19 20.33 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -161.3 161.97 30.8 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.862 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 p -106.89 153.93 21.8 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 124.365 1.041 . . . . 0.0 109.754 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.78 141.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.53 -159.04 38.79 Favored Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.406 -2.278 . . . . 0.0 107.406 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.0 tttt 55.34 -126.15 2.17 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 115.376 -2.25 . . . . 0.0 107.565 172.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -165.85 149.36 7.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 123.149 2.704 . . . . 0.0 110.918 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 83' ' ' VAL . 19.5 p -143.1 175.8 9.59 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 111.384 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -126.05 151.78 46.69 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.637 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.1 152.56 35.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.576 -1.202 . . . . 0.0 108.107 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -144.11 84.4 1.77 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 -71.2 0.23 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.938 -1.029 . . . . 0.0 113.701 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.47 -55.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.646 1.112 . . . . 0.0 108.272 -170.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.48 135.45 1.9 Allowed Glycine 0 C--N 1.353 1.514 0 CA-C-O 118.038 -1.423 . . . . 0.0 111.744 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 16.82 68.0 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 119.614 1.707 . . . . 0.0 112.682 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -136.03 66.4 1.5 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.77 1.785 . . . . 0.0 107.06 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -68.31 143.47 55.19 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.85 166.65 20.42 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -113.47 151.07 31.93 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.31 142.75 14.64 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.859 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 p -103.59 86.18 2.58 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' SG ' ' A' ' 69' ' ' CYS . 8.7 t -52.81 140.33 8.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 C-N-CA 119.446 -0.902 . . . . 0.0 108.678 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -131.84 167.15 20.06 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.71 133.8 34.6 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.692 -1.147 . . . . 0.0 108.551 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -140.31 127.6 21.17 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.1 -155.66 52.47 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -171.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.86 55.25 1.62 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.349 -1.901 . . . . 0.0 108.349 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -151.37 121.11 7.01 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.155 -1.402 . . . . 0.0 108.983 -171.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.45 146.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 120.04 1.291 . . . . 0.0 108.963 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.14 155.44 38.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.11 154.1 30.4 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.893 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.45 136.96 35.16 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.425 -1.274 . . . . 0.0 108.682 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -138.42 159.8 66.31 Favored Pre-proline 0 C--N 1.356 0.864 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.932 -174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -44.19 -44.44 12.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 CA-C-N 123.102 2.144 . . . . 0.0 114.794 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -145.85 52.7 1.16 Allowed 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.694 1.134 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 78.3 t80 -171.01 71.11 0.05 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -70.55 147.05 49.73 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -151.66 150.71 30.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.623 -1.18 . . . . 0.0 109.815 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.6 p -148.97 162.43 39.91 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.549 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.04 159.7 42.16 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.369 1.043 . . . . 0.0 109.736 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -152.1 150.91 30.43 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.502 -166.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mm -120.81 127.24 75.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.401 -1.285 . . . . 0.0 107.87 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.96 152.87 11.7 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.744 -1.122 . . . . 0.0 108.878 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 47.93 37.6 7.79 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.462 1.028 . . . . 0.0 113.109 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 55.42 39.03 71.75 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.047 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -137.66 166.94 22.72 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.8 tt -114.87 125.09 53.25 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.32 149.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.67 157.86 37.34 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 119.431 1.014 . . . . 0.0 111.026 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.87 165.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 118.73 0.695 . . . . 0.0 110.062 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 m -142.36 146.14 34.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 163.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.3 m -152.24 154.51 35.91 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 119.666 1.121 . . . . 0.0 110.011 -171.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -143.65 60.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.32 15.03 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.669 -1.073 . . . . 0.0 112.373 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.01 -64.56 0.49 Allowed Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.3 t -92.38 137.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.8 p -111.42 166.45 11.11 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -143.21 65.57 1.33 Allowed 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.67 146.09 26.69 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.219 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -154.26 159.92 41.54 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.301 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.21 162.85 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.519 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 m -155.21 152.44 29.35 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.654 -171.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -97.56 165.58 11.92 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.287 0.992 . . . . 0.0 108.664 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . 0.26 1.7 pt? -155.94 51.29 0.54 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.131 0.878 . . . . 0.0 111.608 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.761 0 CA-C-O 120.731 0.301 . . . . 0.0 110.479 174.492 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 t -48.81 147.99 2.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.929 1.24 . . . . 0.0 111.963 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.88 15.18 Favored Glycine 0 C--N 1.358 1.788 0 CA-C-N 119.345 0.975 . . . . 0.0 112.017 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -95.5 152.65 18.23 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -148.04 157.41 43.5 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -130.6 161.35 31.76 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 tt -97.73 134.78 34.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-O 117.612 -1.185 . . . . 0.0 108.281 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.4 -61.05 2.04 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 168.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -157.98 157.55 33.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.48 -0.772 . . . . 0.0 110.079 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -92.22 170.94 9.41 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.671 -1.157 . . . . 0.0 107.906 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -154.77 136.23 14.19 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.76 1.164 . . . . 0.0 110.751 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 59.61 43.23 16.08 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.644 1.111 . . . . 0.0 110.744 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 25.4 p90 -82.75 -44.13 15.96 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 10.9 p-10 -61.99 -45.67 92.59 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 118.125 -0.94 . . . . 0.0 112.301 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -71.91 -29.95 64.86 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.806 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.71 -49.21 55.51 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.2 mtt -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.086 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -50.57 73.28 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.48 -37.28 83.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.224 -1.369 . . . . 0.0 110.785 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.19 -40.72 64.62 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.919 1.69 . . . . 0.0 107.701 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 92.05 59.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.709 1.256 . . . . 0.0 108.542 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.42 145.18 29.23 Favored Pre-proline 0 C--N 1.357 0.925 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.07 -76.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 123.673 2.347 . . . . 0.0 115.255 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -161.6 -59.39 0.05 OUTLIER 'General case' 0 C--N 1.355 0.813 0 CA-C-N 121.034 1.743 . . . . 0.0 111.246 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.36 -39.45 76.02 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.41 1.459 . . . . 0.0 107.725 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.1 83.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.595 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.93 -50.44 79.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.35 -42.44 91.54 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 117.628 -1.177 . . . . 0.0 112.52 -172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -30.44 66.27 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.712 1.596 . . . . 0.0 110.698 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.194 0.906 . . . . 0.0 111.047 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -55.61 150.54 12.12 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.291 0.95 . . . . 0.0 109.383 175.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.77 34.7 7.86 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 161.22 30.72 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.847 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -126.18 62.78 1.25 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -72.21 141.12 16.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.621 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.65 133.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 159.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -101.59 111.04 23.15 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -122.93 139.15 54.36 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.655 1.571 . . . . 0.0 107.462 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.86 152.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.829 -1.081 . . . . 0.0 108.553 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -126.2 147.86 49.57 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 169.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -126.27 139.7 53.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -141.39 -138.72 0.12 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.484 -1.722 . . . . 0.0 109.208 -174.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.86 96.0 0.18 Allowed Glycine 0 C--N 1.355 1.618 0 CA-C-N 122.619 2.463 . . . . 0.0 109.718 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 38.83 34.84 0.1 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 119.076 1.438 . . . . 0.0 112.436 -175.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -131.75 158.12 42.02 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 31.7 m-85 -139.14 139.33 37.6 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.588 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.2 m -117.8 84.21 2.13 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 101.88 -3.378 . . . . 0.0 101.88 168.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -99.47 135.8 40.36 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.642 -1.647 . . . . 0.0 107.237 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -148.07 160.98 42.3 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.324 1.42 . . . . 0.0 111.368 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -133.23 119.75 20.24 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -85.82 71.05 10.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.982 1.265 . . . . 0.0 109.765 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.54 138.38 76.2 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.093 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.96 -179.36 4.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 122.609 1.968 . . . . 0.0 114.371 -169.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.73 13.39 83.09 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.913 -1.493 . . . . 0.0 111.998 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.28 48.84 65.34 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 120.248 2.024 . . . . 0.0 110.347 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -138.27 55.55 1.75 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -54.82 143.78 24.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.552 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.64 78.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 m -71.0 149.39 46.69 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.127 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -147.03 72.71 1.28 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.6 m -73.45 128.68 36.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 20.9 p90 -150.36 159.08 44.72 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 119.886 1.221 . . . . 0.0 112.149 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.9 m -131.25 140.34 49.82 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.43 145.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.079 -0.962 . . . . 0.0 108.82 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.03 -58.37 2.09 Favored Glycine 0 C--N 1.357 1.711 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.75 161.86 17.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.523 1.162 . . . . 0.0 111.401 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.12 119.93 19.01 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 170.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 m -99.06 147.09 25.4 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 119.587 1.085 . . . . 0.0 110.763 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.04 145.62 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 mm -142.69 143.85 25.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.852 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.98 177.23 5.88 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 m -130.75 -62.68 0.9 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.918 -1.515 . . . . 0.0 110.396 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.2 tp 173.82 -46.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.171 1.35 . . . . 0.0 109.812 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 65.74 3.77 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.23 35.41 34.49 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 117.558 -1.69 . . . . 0.0 113.097 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -90.34 157.45 17.63 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.456 1.628 . . . . 0.0 109.125 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -167.15 108.15 0.63 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.14 158.86 43.71 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 119.294 0.952 . . . . 0.0 108.927 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -88.51 151.32 22.6 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.83 149.47 14.61 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.22 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -87.87 140.49 29.45 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.566 -1.207 . . . . 0.0 110.523 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -102.06 143.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.74 164.06 32.15 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 166.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.0 142.52 47.29 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.858 -171.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.13 151.07 20.83 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.788 -1.101 . . . . 0.0 110.13 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.9 -145.74 19.77 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.961 -1.655 . . . . 0.0 108.961 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.05 53.68 0.94 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -144.39 164.51 30.6 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 117.726 0.763 . . . . 0.0 110.041 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 p -119.3 143.86 29.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.74 114.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.824 1.193 . . . . 0.0 109.949 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 145.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 162.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -153.05 66.63 0.79 Allowed 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 118.531 -1.268 . . . . 0.0 112.389 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.4 p -89.89 139.92 27.65 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-O 115.701 -2.095 . . . . 0.0 105.43 167.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -46.17 -42.4 21.52 Favored 'Trans proline' 0 C--N 1.358 1.032 0 CA-C-N 123.299 2.214 . . . . 0.0 114.505 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -78.41 -64.73 1.1 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.029 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -96.09 79.79 3.23 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.92 147.56 40.84 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -159.59 155.27 25.97 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.491 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -145.03 164.61 30.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 150.89 37.02 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 124.946 1.404 . . . . 0.0 107.491 166.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.83 156.47 36.26 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.108 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.7 mm -102.89 146.5 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 170.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.26 131.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.906 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.73 -88.74 0.02 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-N 119.378 0.99 . . . . 0.0 109.932 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.62 47.61 0.54 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -146.44 165.25 29.95 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -110.96 143.52 41.5 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.81 148.31 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 159.47 36.72 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.838 1.199 . . . . 0.0 111.483 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.95 161.96 8.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.154 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -129.02 144.64 51.25 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 164.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 m -142.97 150.39 39.63 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.316 1.416 . . . . 0.0 110.606 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -134.96 61.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.93 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.44 -84.98 0.43 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.45 -57.31 2.63 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.803 -0.998 . . . . 0.0 112.405 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.66 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 118.335 1.068 . . . . 0.0 109.364 -169.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.2 p -119.06 164.59 15.3 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 124.174 0.921 . . . . 0.0 109.756 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 76.87 1.62 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.42 152.41 32.21 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.728 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -143.13 157.19 44.74 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.0 152.98 37.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.631 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 m -155.53 165.67 35.87 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 118.845 0.748 . . . . 0.0 111.353 -170.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 167.52 17.17 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.04 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -103.84 134.79 46.55 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.794 -1.098 . . . . 0.0 111.877 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 4.9 tt -86.91 -57.53 2.94 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 170.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 126' ' ' LEU . . . . . . . . 0 C--N 1.358 0.964 0 O-C-N 124.585 1.178 . . . . 0.0 108.163 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.456 0 N-CA-C 103.551 -2.759 . . . . 0.0 103.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p 39.63 68.42 0.38 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.868 0.73 . . . . 0.0 112.48 166.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.04 -172.03 39.63 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.333 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -123.38 156.18 35.91 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.504 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -147.1 131.85 17.94 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.336 -1.316 . . . . 0.0 109.61 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -97.77 142.06 30.01 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 tt -62.06 144.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 119.223 0.92 . . . . 0.0 109.422 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.05 -59.48 1.89 Allowed 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -176.14 71.95 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 164.23 10.65 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.952 -175.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -136.54 166.72 22.85 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 57.51 25.4 11.44 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.509 -1.234 . . . . 0.0 113.665 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -69.21 -43.28 74.44 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 171.582 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.56 -50.53 71.61 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.446 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.8 -40.08 83.94 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.836 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.59 -48.71 68.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.832 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.6 ttm -68.73 -36.74 78.8 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.499 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -37.77 71.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -63.37 -41.55 98.82 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.233 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.92 -44.98 93.98 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.346 . . 108.87 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.32 156.73 0.1 OUTLIER Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 117.362 -1.304 . . . . 0.0 110.702 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.28 165.7 16.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 124.283 2.565 . . . . 0.0 110.733 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -66.23 -33.76 76.47 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.644 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.84 -50.86 32.63 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.298 0.954 . . . . 0.0 108.697 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.53 64.79 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.806 0.73 . . . . 0.0 111.211 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.67 -48.28 88.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.3 -35.78 81.97 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.576 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -70.2 -41.78 73.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.297 1.408 . . . . 0.0 108.97 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -60.99 151.48 30.41 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 82.16 -51.85 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.782 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.41 153.99 40.2 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.338 0.972 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -126.01 110.74 13.92 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.46 141.35 17.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 120.503 1.501 . . . . 0.0 107.525 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -102.59 101.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 170.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -74.97 157.12 35.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -174.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -160.64 141.36 11.68 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 117.523 -1.227 . . . . 0.0 109.119 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -145.41 164.48 11.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -157.21 131.39 8.38 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.679 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -81.4 150.31 28.44 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.442 1.019 . . . . 0.0 109.375 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.1 55.96 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.56 73.44 1.06 Allowed Glycine 0 C--N 1.356 1.665 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 50.47 51.76 16.19 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.89 104.32 1.92 Allowed 'General case' 0 C--N 1.351 0.67 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -87.82 99.9 12.46 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 m -70.64 94.34 1.0 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 171.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -90.49 154.43 19.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.432 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.2 m -151.6 157.85 42.73 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.022 0.828 . . . . 0.0 112.506 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -134.72 87.77 2.38 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -82.78 98.98 9.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.356 -168.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.21 143.52 97.65 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 115.901 -1.999 . . . . 0.0 106.048 169.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.85 -39.69 39.39 Favored 'Trans proline' 0 C--N 1.358 1.055 0 CA-C-N 123.542 2.301 . . . . 0.0 115.948 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.23 -172.44 10.82 Favored Glycine 0 C--N 1.354 1.531 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.481 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -33.56 44.87 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.498 -1.168 . . . . 0.0 111.057 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -55.54 150.31 12.3 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.78 1.29 . . . . 0.0 109.901 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 p -170.11 93.78 0.23 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.5 146.73 11.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 119.272 -0.971 . . . . 0.0 108.671 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -123.63 142.03 51.44 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -135.26 73.65 1.48 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -63.68 129.11 38.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 117.633 -1.175 . . . . 0.0 108.377 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -148.34 166.91 26.62 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.196 0.907 . . . . 0.0 109.429 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 50.8 m -126.09 145.23 50.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.414 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -73.96 98.03 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.477 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.58 -58.54 0.52 Allowed Glycine 0 C--N 1.358 1.757 0 CA-C-N 119.53 1.059 . . . . 0.0 112.87 170.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -69.01 164.54 22.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 117.621 0.71 . . . . 0.0 111.472 -170.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -72.35 99.1 2.35 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.9 m -79.89 156.3 27.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.861 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -105.13 139.77 39.31 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.22 154.32 39.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.53 176.91 11.49 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.355 -168.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.33 15.2 t 56.98 -175.26 0.06 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.804 1.315 . . . . 0.0 109.977 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.8 mm 65.14 -78.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -169.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 -29.06 59.96 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.07 -1.406 . . . . 0.0 111.542 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.3 -64.77 0.8 Allowed Glycine 0 C--N 1.355 1.626 0 N-CA-C 106.735 -2.546 . . . . 0.0 106.735 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.05 120.97 8.92 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.56 -1.21 . . . . 0.0 107.926 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -67.61 159.54 29.71 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.0 1.273 . . . . 0.0 109.664 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -132.68 157.34 45.1 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 118.274 -0.869 . . . . 0.0 109.709 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -88.7 165.48 14.72 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 165.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.21 159.1 35.71 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.325 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -123.49 88.21 2.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.43 139.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.78 148.4 8.87 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.531 169.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 75.7 mtp -92.68 156.32 17.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.92 0.782 . . . . 0.0 109.374 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.72 55.79 0.68 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.63 -150.59 19.94 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.96 56.3 3.68 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -165.15 160.87 19.1 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.319 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.28 134.5 57.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 124.489 1.118 . . . . 0.0 109.519 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.0 141.7 21.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.291 0.5 OUTLIER -139.71 76.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -79.49 164.11 24.18 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.294 -171.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -162.57 150.8 12.01 Favored Pre-proline 0 C--N 1.352 0.713 0 CA-C-O 115.623 -2.132 . . . . 0.0 108.88 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.23 -27.19 48.72 Favored 'Trans proline' 0 C--N 1.359 1.09 0 CA-C-N 124.205 2.537 . . . . 0.0 113.638 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -139.01 40.91 2.13 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 121.306 1.866 . . . . 0.0 111.217 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 45.7 t80 -176.06 62.82 0.02 OUTLIER 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -64.3 131.32 46.97 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -132.73 154.9 49.75 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -165.43 151.4 9.61 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 119.271 0.941 . . . . 0.0 109.446 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.85 161.15 40.65 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -157.28 114.94 3.11 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.809 -166.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.5 mm -83.27 140.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 170.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.3 141.33 7.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.075 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 37.04 47.19 0.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.22 47.08 92.54 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.727 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -157.94 137.7 12.18 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.22 -1.848 . . . . 0.0 107.604 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 tp -98.18 118.66 35.3 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.809 1.64 . . . . 0.0 108.112 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.43 147.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.74 130.36 25.78 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.77 -1.586 . . . . 0.0 107.761 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -131.58 147.88 32.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 119.827 1.194 . . . . 0.0 108.754 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 m -143.95 154.87 43.76 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 116.82 -1.562 . . . . 0.0 107.828 173.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 m -145.79 145.83 30.95 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.871 1.214 . . . . 0.0 110.157 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.0 51.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 123.692 0.62 . . . . 0.0 109.937 -168.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.09 -78.13 0.4 Allowed Glycine 0 C--N 1.354 1.532 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.52 25.67 3.11 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.645 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 66.8 t -141.99 93.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.721 1.761 . . . . 0.0 106.248 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -70.41 158.5 35.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.37 63.41 1.63 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.73 131.52 47.08 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -151.81 157.81 42.43 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 118.57 0.623 . . . . 0.0 109.81 171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.68 152.71 20.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.2 p -138.46 129.53 27.01 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -78.85 126.27 30.48 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -77.95 112.18 14.58 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.35 -51.5 6.52 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.639 1.109 . . . . 0.0 109.894 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.782 0 CA-C-N 119.627 1.103 . . . . 0.0 111.137 -178.676 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 m 46.02 73.02 0.19 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 167.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.98 177.37 48.25 Favored Glycine 0 C--N 1.353 1.49 0 C-N-CA 119.45 -1.357 . . . . 0.0 112.912 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -101.06 159.19 15.43 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 172.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -149.62 114.29 5.31 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.94 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.65 124.38 30.77 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.97 1.259 . . . . 0.0 109.636 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.16 142.36 16.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 119.482 1.037 . . . . 0.0 108.986 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.67 -57.15 2.1 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.027 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -123.92 152.85 41.98 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -138.93 61.56 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.31 151.36 35.03 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.023 -168.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 55.85 49.05 16.81 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.631 0.651 . . . . 0.0 110.112 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -94.53 -38.46 10.88 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 117.443 -1.265 . . . . 0.0 108.883 172.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.49 -52.72 63.67 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 121.259 1.845 . . . . 0.0 112.472 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -66.39 -43.7 85.1 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.439 -173.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.93 -46.41 84.89 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.269 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.9 tpp -69.12 -28.28 66.33 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.003 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -68.33 -35.38 77.69 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.023 1.283 . . . . 0.0 110.226 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.55 -50.5 71.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.658 1.572 . . . . 0.0 107.976 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.86 -37.42 76.48 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.06 57.31 0.05 Allowed 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.5 150.78 47.18 Favored Pre-proline 0 C--N 1.353 0.761 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.21 171.96 9.51 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 123.919 2.435 . . . . 0.0 112.223 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 t -57.93 -46.75 84.55 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.941 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -56.67 -48.55 77.36 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.327 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.05 77.98 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.781 0.719 . . . . 0.0 110.088 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.99 -48.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.29 -35.66 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.77 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.57 -43.36 99.0 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.373 1.442 . . . . 0.0 108.515 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.61 -42.08 78.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.392 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.27 -66.98 0.45 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.252 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.25 -35.19 36.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.632 -164.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.49 161.75 28.86 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.017 1.735 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -109.0 93.26 4.42 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -172.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.3 132.4 29.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.427 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.3 mm -102.19 98.86 7.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 103.984 -2.599 . . . . 0.0 103.984 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -72.82 153.33 41.12 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -154.31 144.46 21.98 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.022 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.38 143.61 24.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.002 -1.475 . . . . 0.0 108.091 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -133.09 123.13 25.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -83.84 144.6 29.15 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.85 61.18 1.68 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.192 0.906 . . . . 0.0 109.813 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.62 80.69 0.15 Allowed Glycine 0 C--N 1.355 1.635 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 52.36 57.89 5.97 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.533 1.166 . . . . 0.0 108.098 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -166.66 147.25 6.0 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 170.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -133.97 92.08 2.91 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 107.437 -1.319 . . . . 0.0 107.437 -173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.4 m -73.6 93.05 1.99 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -90.32 155.86 18.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.806 -1.092 . . . . 0.0 108.84 -175.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.6 t -154.52 152.74 30.44 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.232 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -127.54 96.86 4.67 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.43 118.78 34.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.318 -1.325 . . . . 0.0 108.674 -167.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -94.55 122.37 61.1 Favored Pre-proline 0 C--N 1.355 0.834 0 CA-C-O 114.504 -2.665 . . . . 0.0 104.255 -178.282 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -36.44 89.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 CA-C-N 123.937 2.442 . . . . 0.0 116.063 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 77.64 150.15 4.09 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.827 -0.985 . . . . 0.0 111.044 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.3 -85.27 1.56 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.522 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -104.73 79.72 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.33 1.065 . . . . 0.0 110.536 -169.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.8 p -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.381 -1.295 . . . . 0.0 108.367 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -108.18 149.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 119.69 1.132 . . . . 0.0 108.272 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 m -125.89 151.94 46.22 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -143.55 73.96 1.41 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -64.92 131.93 48.0 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.772 -1.108 . . . . 0.0 108.679 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -150.78 166.38 30.65 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.186 0.903 . . . . 0.0 109.592 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.3 m -136.86 151.38 49.04 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.969 -173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.59 138.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.607 1.094 . . . . 0.0 111.119 -173.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.08 8.49 58.52 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 116.674 -2.181 . . . . 0.0 116.151 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -92.88 -54.71 3.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 121.027 2.414 . . . . 0.0 109.821 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 121.2 84.5 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.57 150.08 26.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -101.44 129.13 47.41 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.7 mt -121.81 150.19 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-N 119.982 1.265 . . . . 0.0 109.442 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -131.04 127.87 39.15 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 167.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -90.32 77.5 6.61 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.007 1.276 . . . . 0.0 108.417 -172.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.251 0.0 OUTLIER 44.92 87.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 O-C-N 123.908 0.755 . . . . 0.0 111.951 176.211 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.83 56.57 8.07 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.444 172.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.14 -169.39 15.67 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -68.17 164.63 19.99 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -144.04 159.65 42.23 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.341 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -88.82 159.27 17.81 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 164.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.87 85.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 m -67.19 81.9 0.13 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.52 143.95 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.844 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -157.6 114.65 2.98 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.56 -1.209 . . . . 0.0 109.957 -171.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.81 154.6 38.24 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.685 1.584 . . . . 0.0 109.262 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -145.82 67.02 1.2 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.96 56.82 3.93 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.58 -59.25 2.56 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.15 151.82 45.13 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 118.773 1.287 . . . . 0.0 109.511 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.0 p -98.24 146.45 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 117.473 -1.251 . . . . 0.0 107.913 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.32 101.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.86 147.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 166.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -149.88 132.14 15.5 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.619 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 m -144.86 160.64 46.22 Favored Pre-proline 0 C--N 1.358 0.955 0 CA-C-O 116.043 -1.932 . . . . 0.0 108.236 -174.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.74 -22.46 49.86 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 123.605 2.323 . . . . 0.0 112.161 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -147.39 54.98 1.08 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.59 1.541 . . . . 0.0 109.933 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 20.2 t80 167.08 67.15 0.0 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -85.18 145.7 27.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -151.01 149.3 29.4 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.928 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -145.97 157.31 43.88 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 119.861 1.209 . . . . 0.0 108.743 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.03 153.17 41.19 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 124.274 0.984 . . . . 0.0 109.029 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 103' ' ' ILE . 25.8 tt0 -154.04 131.32 11.18 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 116.871 -1.538 . . . . 0.0 108.231 -163.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 102' ' ' GLU . 1.6 mp -111.84 146.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.2 t -141.57 110.15 2.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 50.03 42.01 24.12 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.95 1.705 . . . . 0.0 112.071 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.82 -12.32 17.2 Favored Glycine 0 C--N 1.356 1.654 0 CA-C-O 117.657 -1.635 . . . . 0.0 114.221 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.93 130.01 34.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.518 2.159 . . . . 0.0 105.207 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 tt -104.94 144.52 31.68 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.919 1.236 . . . . 0.0 107.688 -168.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.6 p -154.56 145.49 13.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.445 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.65 171.15 17.59 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.244 0.929 . . . . 0.0 112.537 -168.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.74 150.01 12.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.645 171.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.53 165.54 24.96 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 118.508 0.595 . . . . 0.0 110.228 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -153.81 147.07 24.75 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 117.644 -1.17 . . . . 0.0 108.766 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.02 56.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.581 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 44.62 50.4 8.38 Favored Glycine 0 C--N 1.355 1.638 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.017 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.24 -58.2 0.11 Allowed Glycine 0 C--N 1.35 1.341 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.499 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.5 m -141.02 159.03 23.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.149 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.3 t -103.09 166.3 10.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.006 0.816 . . . . 0.0 109.257 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -140.76 90.56 2.35 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 123.775 0.672 . . . . 0.0 109.61 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -71.31 142.5 50.45 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.116 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -139.59 153.55 47.4 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.1 p -152.86 144.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 119.89 1.223 . . . . 0.0 111.717 -173.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -156.34 169.84 23.66 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.217 0.917 . . . . 0.0 111.212 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 153.55 42.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 120.171 -0.611 . . . . 0.0 112.455 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.26 133.34 52.59 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.41 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -113.18 -63.36 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.62 0.646 . . . . 0.0 111.032 177.364 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' THR . 74.3 m-85 . . . . . 0 CA--C 1.512 -0.499 0 CA-C-O 116.993 -1.479 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' PHE . 6.9 t -35.26 132.46 0.38 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.096 1.317 . . . . 0.0 113.223 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 171.54 15.31 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -98.07 151.28 20.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.491 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -151.44 156.81 41.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.318 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.82 154.62 47.84 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 123.876 0.735 . . . . 0.0 110.936 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -84.27 98.1 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.77 -40.91 85.31 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -155.25 160.49 40.86 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.897 0.771 . . . . 0.0 111.032 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -175.96 138.85 0.37 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 115.77 -2.062 . . . . 0.0 108.129 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -140.33 51.01 1.68 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 121.43 1.923 . . . . 0.0 111.979 -174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -152.34 35.68 0.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -84.07 -34.53 24.18 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.281 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 14' ' ' TYR . 13.2 p-10 -67.78 -44.57 77.1 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 119.19 0.904 . . . . 0.0 109.859 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -65.7 -34.18 77.61 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.16 -41.75 99.3 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.965 -1.017 . . . . 0.0 111.159 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -56.41 -41.36 76.19 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.704 1.138 . . . . 0.0 109.088 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.9 -29.32 62.91 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.059 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 68.89 55.72 0.44 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.492 0.587 . . . . 0.0 110.451 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -92.12 147.36 34.56 Favored Pre-proline 0 C--N 1.355 0.83 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 169.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.46 163.64 33.95 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.028 2.474 . . . . 0.0 111.54 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 m -57.5 -39.21 75.98 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.527 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -51.58 -49.83 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.486 -0.885 . . . . 0.0 108.903 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.66 81.23 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.457 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.22 -49.5 66.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -57.69 -30.81 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.026 -1.07 . . . . 0.0 110.954 -175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.53 -47.57 72.49 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.048 1.295 . . . . 0.0 108.857 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.74 5.43 21.39 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.366 -1.302 . . . . 0.0 114.001 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -78.51 150.06 32.99 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.77 1.623 . . . . 0.0 106.712 171.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 55.65 58.43 4.52 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 tp -147.47 142.38 26.9 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -133.93 177.44 7.73 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.05 142.44 42.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.083 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.5 mt -95.17 114.27 31.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 124.28 37.42 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -124.34 116.26 22.33 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.51 138.41 35.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -126.68 100.28 6.14 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.24 151.21 47.5 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -144.11 72.06 1.34 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.57 -105.98 2.88 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 106.32 -2.712 . . . . 0.0 106.32 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -123.26 40.09 3.8 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.632 1.716 . . . . 0.0 108.588 169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -123.65 153.74 40.34 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.79 102.76 5.17 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 119.094 0.861 . . . . 0.0 108.929 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -78.57 91.53 4.6 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.307 -2.849 . . . . 0.0 103.307 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -92.38 90.06 7.07 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m -74.6 148.45 40.75 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.09 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -128.3 85.33 2.33 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -91.26 95.08 9.84 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -159.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -57.32 147.49 57.95 Favored Pre-proline 0 C--N 1.353 0.75 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.858 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.67 174.36 9.54 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.329 1.867 . . . . 0.0 108.526 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.25 -55.96 1.5 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.86 -50.51 0.38 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.34 1.07 . . . . 0.0 111.576 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.46 154.14 17.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 117.66 0.73 . . . . 0.0 111.692 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 p -136.16 154.75 50.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.898 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -115.46 64.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 176.26 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.4 t -59.96 159.38 9.34 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.741 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -125.74 74.51 1.42 Allowed 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 m -62.39 117.11 5.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -141.38 161.84 36.91 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.66 1.118 . . . . 0.0 111.98 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -125.21 152.09 44.99 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.446 1.091 . . . . 0.0 108.756 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.37 142.9 15.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.836 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.71 43.49 94.45 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.701 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -127.85 155.59 43.89 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.63 78.73 1.5 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.18 140.42 46.99 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.837 -1.077 . . . . 0.0 111.613 -169.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.45 132.65 34.95 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mm -118.48 81.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.6 148.49 38.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 m -132.73 149.01 52.34 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.334 1.021 . . . . 0.0 109.741 -172.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.3 155.5 3.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.06 46.56 65.01 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 119.32 -1.419 . . . . 0.0 109.957 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.65 -170.92 31.04 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.245 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.259 18.2 ptpt 54.08 155.11 0.0 OUTLIER 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -139.18 171.0 14.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 97' ' ' TYR . 8.3 m-85 -128.62 105.08 8.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.035 -0.984 . . . . 0.0 108.861 171.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.28 125.02 25.11 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 170.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.07 160.23 44.03 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.353 0.979 . . . . 0.0 111.147 -166.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -100.9 114.19 27.83 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.418 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 t -79.91 154.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -157.34 113.05 2.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.027 -1.94 . . . . 0.0 108.223 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 85' ' ' MET . 3.4 ppp? -108.48 148.14 30.65 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.592 1.542 . . . . 0.0 110.651 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.99 108.89 3.87 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 118.172 -0.918 . . . . 0.0 108.918 -174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.8 -103.85 1.61 Allowed Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.64 -1.644 . . . . 0.0 109.472 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.03 47.7 1.0 Allowed Glycine 0 C--N 1.355 1.639 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.68 162.29 36.34 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.303 -1.332 . . . . 0.0 108.817 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . 0.278 10.2 p -137.05 130.22 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.232 166.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.51 148.69 13.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 147.75 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 167.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -156.07 149.04 24.22 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.312 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 p -136.98 177.4 2.2 Favored Pre-proline 0 C--N 1.356 0.882 0 CA-C-O 116.224 -1.846 . . . . 0.0 107.755 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -51.93 -39.18 69.45 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.594 2.319 . . . . 0.0 114.25 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -119.1 -57.79 1.99 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.481 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 31.1 t80 -72.87 157.11 38.08 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.406 1.003 . . . . 0.0 108.792 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 52.2 t-80 -152.83 154.03 34.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.365 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -156.83 152.77 27.28 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.606 172.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.1 p -143.61 157.84 44.11 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.46 144.34 31.32 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.474 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -146.64 161.36 40.72 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 119.153 0.888 . . . . 0.0 110.036 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.07 144.85 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 O-C-N 124.454 1.097 . . . . 0.0 108.711 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 p -159.41 142.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-O 117.064 -1.446 . . . . 0.0 109.698 171.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.8 t0 45.92 46.1 12.15 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.264 1.393 . . . . 0.0 112.111 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 50.7 38.6 36.78 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.867 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.56 166.11 22.85 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 tp -117.76 146.2 43.95 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.9 t -143.35 125.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -145.59 170.94 15.46 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 120.387 1.449 . . . . 0.0 111.373 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -157.45 144.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.852 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.6 p -130.43 161.33 31.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 m -152.62 150.11 29.15 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.283 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -137.44 69.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.67 -89.32 1.62 Allowed Glycine 0 C--N 1.354 1.579 0 CA-C-O 117.885 -1.508 . . . . 0.0 109.879 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.59 23.57 10.2 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.279 -1.845 . . . . 0.0 113.023 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.95 113.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.894 1.847 . . . . 0.0 108.292 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m -80.66 167.46 20.0 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.317 0.962 . . . . 0.0 109.401 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -149.46 79.96 1.39 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -54.78 164.43 0.78 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.839 0.712 . . . . 0.0 111.035 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -165.26 96.51 0.69 Allowed 'General case' 0 C--N 1.351 0.669 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 169.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.65 152.2 8.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -142.88 159.3 42.49 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.363 0.983 . . . . 0.0 110.435 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -135.76 160.76 37.55 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.354 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -90.18 145.69 24.84 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.356 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.53 -58.58 3.2 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.798 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 176.862 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -85.23 -86.58 0.13 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.826 -1.559 . . . . 0.0 107.53 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p 45.1 65.63 1.06 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.025 1.738 . . . . 0.0 112.776 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 174.99 44.31 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 118.728 -1.701 . . . . 0.0 113.404 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -80.69 161.34 24.67 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -153.77 148.91 26.88 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.243 -1.361 . . . . 0.0 108.594 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -113.14 145.02 41.66 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.3 mt -97.24 132.28 42.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.72 4.34 8.18 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.178 -1.867 . . . . 0.0 113.695 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -173.41 155.15 2.77 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.57 1.986 . . . . 0.0 111.924 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -133.23 -179.58 5.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -149.94 102.6 3.13 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 116.523 -1.703 . . . . 0.0 109.335 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 110.83 61.41 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 O-C-N 124.762 1.289 . . . . 0.0 110.008 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -95.79 3.4 53.79 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.759 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.56 -50.74 4.17 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.543 1.519 . . . . 0.0 109.732 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.61 -40.59 69.7 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.82 -50.4 69.06 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.03 -34.88 79.48 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.921 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -54.04 -52.15 61.77 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -73.48 -35.34 65.67 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.181 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.8 OUTLIER -62.31 -43.92 97.72 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . 100.17 67.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.863 0.727 . . . . 0.0 111.891 168.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 154.12 48.31 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.883 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.8 162.9 39.93 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 122.928 2.082 . . . . 0.0 110.981 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 m -59.47 -45.18 92.39 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.229 -0.891 . . . . 0.0 113.108 -167.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.92 -44.39 86.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.612 1.096 . . . . 0.0 109.584 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.19 90.95 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.185 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.92 -51.8 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.32 -46.38 83.29 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.396 -1.288 . . . . 0.0 111.224 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -71.79 -32.26 67.45 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 120.263 1.392 . . . . 0.0 110.808 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -30.57 66.01 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.695 -1.622 . . . . 0.0 112.492 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -22.61 -49.76 0.02 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -155.94 48.54 0.5 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.541 1.064 . . . . 0.0 110.319 170.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 110.97 2.93 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 101.956 -3.35 . . . . 0.0 101.956 170.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 163.48 27.71 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -165.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.82 139.05 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 116.82 -1.562 . . . . 0.0 109.764 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.4 mt -97.54 141.19 16.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -121.57 161.82 21.7 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.622 0.577 . . . . 0.0 110.261 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -163.0 150.8 13.51 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.679 -1.153 . . . . 0.0 109.259 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.56 148.75 20.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.763 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -136.99 151.31 48.84 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -131.41 145.88 52.01 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.504 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -100.29 -112.83 0.18 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 115.932 -1.985 . . . . 0.0 105.861 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.32 -81.99 0.77 Allowed Glycine 0 C--N 1.357 1.711 0 CA-C-N 122.754 2.524 . . . . 0.0 107.201 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -116.86 27.68 9.0 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 117.755 0.778 . . . . 0.0 109.169 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.38 115.35 29.13 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -93.55 155.63 17.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -136.69 100.9 4.46 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -103.21 152.01 21.98 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.827 -1.083 . . . . 0.0 109.337 -169.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -153.24 114.45 4.17 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.344 -1.313 . . . . 0.0 112.453 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -112.27 138.29 49.19 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -136.01 112.83 10.22 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.019 1.281 . . . . 0.0 111.87 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -69.5 136.75 88.41 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-O 115.367 -2.254 . . . . 0.0 105.246 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.83 -37.24 21.21 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 124.051 2.482 . . . . 0.0 112.44 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.47 166.44 7.06 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.51 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.97 -37.15 28.75 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-O 118.648 -1.085 . . . . 0.0 113.41 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -67.61 154.47 41.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.992 1.396 . . . . 0.0 112.248 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -153.33 156.19 37.9 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.314 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -120.38 90.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 m -103.27 142.58 33.95 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.617 -1.182 . . . . 0.0 108.515 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -145.39 161.35 39.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.967 0.803 . . . . 0.0 109.268 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -147.17 134.19 20.33 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -161.3 161.97 30.8 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.862 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 p -106.89 153.93 21.8 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 124.365 1.041 . . . . 0.0 109.754 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.78 141.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.53 -159.04 38.79 Favored Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.406 -2.278 . . . . 0.0 107.406 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.0 tttt 55.34 -126.15 2.17 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 115.376 -2.25 . . . . 0.0 107.565 172.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -165.85 149.36 7.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 123.149 2.704 . . . . 0.0 110.918 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 83' ' ' VAL . 19.5 p -143.1 175.8 9.59 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 111.384 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -126.05 151.78 46.69 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.637 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.1 152.56 35.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.576 -1.202 . . . . 0.0 108.107 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -144.11 84.4 1.77 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 -71.2 0.23 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.938 -1.029 . . . . 0.0 113.701 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.47 -55.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.646 1.112 . . . . 0.0 108.272 -170.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.48 135.45 1.9 Allowed Glycine 0 C--N 1.353 1.514 0 CA-C-O 118.038 -1.423 . . . . 0.0 111.744 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 16.82 68.0 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 119.614 1.707 . . . . 0.0 112.682 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -136.03 66.4 1.5 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.77 1.785 . . . . 0.0 107.06 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -68.31 143.47 55.19 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.85 166.65 20.42 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -113.47 151.07 31.93 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.31 142.75 14.64 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.859 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 p -103.59 86.18 2.58 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' SG ' ' A' ' 69' ' ' CYS . 8.7 t -52.81 140.33 8.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 C-N-CA 119.446 -0.902 . . . . 0.0 108.678 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -131.84 167.15 20.06 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.71 133.8 34.6 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.692 -1.147 . . . . 0.0 108.551 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -140.31 127.6 21.17 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.1 -155.66 52.47 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -171.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.86 55.25 1.62 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.349 -1.901 . . . . 0.0 108.349 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -151.37 121.11 7.01 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.155 -1.402 . . . . 0.0 108.983 -171.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.45 146.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 120.04 1.291 . . . . 0.0 108.963 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.14 155.44 38.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.11 154.1 30.4 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.893 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.45 136.96 35.16 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.425 -1.274 . . . . 0.0 108.682 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -138.42 159.8 66.31 Favored Pre-proline 0 C--N 1.356 0.864 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.932 -174.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -44.19 -44.44 12.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 CA-C-N 123.102 2.144 . . . . 0.0 114.794 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -145.85 52.7 1.16 Allowed 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.694 1.134 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 78.3 t80 -171.01 71.11 0.05 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -70.55 147.05 49.73 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -151.66 150.71 30.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.623 -1.18 . . . . 0.0 109.815 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.6 p -148.97 162.43 39.91 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.549 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.04 159.7 42.16 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.369 1.043 . . . . 0.0 109.736 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -152.1 150.91 30.43 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.502 -166.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mm -120.81 127.24 75.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.401 -1.285 . . . . 0.0 107.87 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.96 152.87 11.7 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.744 -1.122 . . . . 0.0 108.878 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 47.93 37.6 7.79 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.462 1.028 . . . . 0.0 113.109 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 55.42 39.03 71.75 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.047 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -137.66 166.94 22.72 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.8 tt -114.87 125.09 53.25 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.32 149.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.67 157.86 37.34 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 119.431 1.014 . . . . 0.0 111.026 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.87 165.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 118.73 0.695 . . . . 0.0 110.062 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 m -142.36 146.14 34.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 163.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.3 m -152.24 154.51 35.91 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 119.666 1.121 . . . . 0.0 110.011 -171.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -143.65 60.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.32 15.03 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.669 -1.073 . . . . 0.0 112.373 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.01 -64.56 0.49 Allowed Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.3 t -92.38 137.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.8 p -111.42 166.45 11.11 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -143.21 65.57 1.33 Allowed 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.67 146.09 26.69 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.219 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -154.26 159.92 41.54 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.301 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.21 162.85 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.519 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 m -155.21 152.44 29.35 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.654 -171.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -97.56 165.58 11.92 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.287 0.992 . . . . 0.0 108.664 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . 0.26 1.7 pt? -155.94 51.29 0.54 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.131 0.878 . . . . 0.0 111.608 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.761 0 CA-C-O 120.731 0.301 . . . . 0.0 110.479 174.492 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.627 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -59.11 -46.02 89.39 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.321 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 t -48.81 147.99 2.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.929 1.24 . . . . 0.0 111.963 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.88 15.18 Favored Glycine 0 C--N 1.358 1.788 0 CA-C-N 119.345 0.975 . . . . 0.0 112.017 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -95.5 152.65 18.23 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -148.04 157.41 43.5 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -130.6 161.35 31.76 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 tt -97.73 134.78 34.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-O 117.612 -1.185 . . . . 0.0 108.281 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.4 -61.05 2.04 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 168.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -157.98 157.55 33.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.48 -0.772 . . . . 0.0 110.079 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -92.22 170.94 9.41 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.671 -1.157 . . . . 0.0 107.906 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -154.77 136.23 14.19 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.76 1.164 . . . . 0.0 110.751 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 59.61 43.23 16.08 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.644 1.111 . . . . 0.0 110.744 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 25.4 p90 -82.75 -44.13 15.96 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 10.9 p-10 -61.99 -45.67 92.59 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 118.125 -0.94 . . . . 0.0 112.301 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -71.91 -29.95 64.86 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.806 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.71 -49.21 55.51 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.2 mtt -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.086 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -50.57 73.28 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.48 -37.28 83.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.224 -1.369 . . . . 0.0 110.785 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.19 -40.72 64.62 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.919 1.69 . . . . 0.0 107.701 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 92.05 59.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.709 1.256 . . . . 0.0 108.542 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.42 145.18 29.23 Favored Pre-proline 0 C--N 1.357 0.925 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.07 -76.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 123.673 2.347 . . . . 0.0 115.255 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -161.6 -59.39 0.05 OUTLIER 'General case' 0 C--N 1.355 0.813 0 CA-C-N 121.034 1.743 . . . . 0.0 111.246 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.36 -39.45 76.02 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.41 1.459 . . . . 0.0 107.725 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.1 83.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.595 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.93 -50.44 79.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.35 -42.44 91.54 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 117.628 -1.177 . . . . 0.0 112.52 -172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -30.44 66.27 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.712 1.596 . . . . 0.0 110.698 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.194 0.906 . . . . 0.0 111.047 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -55.61 150.54 12.12 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.291 0.95 . . . . 0.0 109.383 175.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.77 34.7 7.86 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 161.22 30.72 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.847 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -126.18 62.78 1.25 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -72.21 141.12 16.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.621 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.65 133.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 159.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -101.59 111.04 23.15 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -122.93 139.15 54.36 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.655 1.571 . . . . 0.0 107.462 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.86 152.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.829 -1.081 . . . . 0.0 108.553 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -126.2 147.86 49.57 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 169.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -126.27 139.7 53.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -141.39 -138.72 0.12 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.484 -1.722 . . . . 0.0 109.208 -174.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.86 96.0 0.18 Allowed Glycine 0 C--N 1.355 1.618 0 CA-C-N 122.619 2.463 . . . . 0.0 109.718 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 38.83 34.84 0.1 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 119.076 1.438 . . . . 0.0 112.436 -175.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -131.75 158.12 42.02 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 31.7 m-85 -139.14 139.33 37.6 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.588 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.2 m -117.8 84.21 2.13 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 101.88 -3.378 . . . . 0.0 101.88 168.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -99.47 135.8 40.36 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.642 -1.647 . . . . 0.0 107.237 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -148.07 160.98 42.3 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.324 1.42 . . . . 0.0 111.368 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -133.23 119.75 20.24 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -85.82 71.05 10.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.982 1.265 . . . . 0.0 109.765 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.54 138.38 76.2 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.093 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.96 -179.36 4.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 122.609 1.968 . . . . 0.0 114.371 -169.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.73 13.39 83.09 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.913 -1.493 . . . . 0.0 111.998 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.28 48.84 65.34 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 120.248 2.024 . . . . 0.0 110.347 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -138.27 55.55 1.75 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -54.82 143.78 24.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.552 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.64 78.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 m -71.0 149.39 46.69 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.127 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -147.03 72.71 1.28 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.6 m -73.45 128.68 36.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 20.9 p90 -150.36 159.08 44.72 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 119.886 1.221 . . . . 0.0 112.149 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.9 m -131.25 140.34 49.82 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.43 145.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.079 -0.962 . . . . 0.0 108.82 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.03 -58.37 2.09 Favored Glycine 0 C--N 1.357 1.711 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.75 161.86 17.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.523 1.162 . . . . 0.0 111.401 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.12 119.93 19.01 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 170.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 m -99.06 147.09 25.4 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 119.587 1.085 . . . . 0.0 110.763 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.04 145.62 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 mm -142.69 143.85 25.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.852 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.98 177.23 5.88 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 m -130.75 -62.68 0.9 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.918 -1.515 . . . . 0.0 110.396 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.2 tp 173.82 -46.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.171 1.35 . . . . 0.0 109.812 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 65.74 3.77 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.23 35.41 34.49 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 117.558 -1.69 . . . . 0.0 113.097 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -90.34 157.45 17.63 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.456 1.628 . . . . 0.0 109.125 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -167.15 108.15 0.63 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.14 158.86 43.71 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 119.294 0.952 . . . . 0.0 108.927 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -88.51 151.32 22.6 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.83 149.47 14.61 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.22 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -87.87 140.49 29.45 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.566 -1.207 . . . . 0.0 110.523 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -102.06 143.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.74 164.06 32.15 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 166.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.0 142.52 47.29 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.858 -171.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.13 151.07 20.83 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.788 -1.101 . . . . 0.0 110.13 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.9 -145.74 19.77 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.961 -1.655 . . . . 0.0 108.961 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.05 53.68 0.94 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -144.39 164.51 30.6 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 117.726 0.763 . . . . 0.0 110.041 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 p -119.3 143.86 29.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.74 114.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.824 1.193 . . . . 0.0 109.949 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 145.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 162.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -153.05 66.63 0.79 Allowed 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 118.531 -1.268 . . . . 0.0 112.389 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.4 p -89.89 139.92 27.65 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-O 115.701 -2.095 . . . . 0.0 105.43 167.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -46.17 -42.4 21.52 Favored 'Trans proline' 0 C--N 1.358 1.032 0 CA-C-N 123.299 2.214 . . . . 0.0 114.505 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -78.41 -64.73 1.1 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.029 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -96.09 79.79 3.23 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.92 147.56 40.84 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -159.59 155.27 25.97 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.491 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -145.03 164.61 30.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 150.89 37.02 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 124.946 1.404 . . . . 0.0 107.491 166.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.83 156.47 36.26 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.108 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.7 mm -102.89 146.5 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 170.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.26 131.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.906 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.73 -88.74 0.02 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-N 119.378 0.99 . . . . 0.0 109.932 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.62 47.61 0.54 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -146.44 165.25 29.95 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -110.96 143.52 41.5 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.81 148.31 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 159.47 36.72 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.838 1.199 . . . . 0.0 111.483 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.95 161.96 8.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.154 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -129.02 144.64 51.25 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 164.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 m -142.97 150.39 39.63 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.316 1.416 . . . . 0.0 110.606 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -134.96 61.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.93 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.44 -84.98 0.43 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.45 -57.31 2.63 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.803 -0.998 . . . . 0.0 112.405 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.66 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 118.335 1.068 . . . . 0.0 109.364 -169.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.2 p -119.06 164.59 15.3 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 124.174 0.921 . . . . 0.0 109.756 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 76.87 1.62 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.42 152.41 32.21 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.728 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -143.13 157.19 44.74 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.0 152.98 37.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.631 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 m -155.53 165.67 35.87 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 118.845 0.748 . . . . 0.0 111.353 -170.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 167.52 17.17 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.04 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -103.84 134.79 46.55 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.794 -1.098 . . . . 0.0 111.877 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 4.9 tt -86.91 -57.53 2.94 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 170.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 126' ' ' LEU . . . . . . . . 0 C--N 1.358 0.964 0 O-C-N 124.585 1.178 . . . . 0.0 108.163 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.596 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.551 -2.759 . . . . 0.0 103.551 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p 39.63 68.42 0.38 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.868 0.73 . . . . 0.0 112.48 166.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.04 -172.03 39.63 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.333 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -123.38 156.18 35.91 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.504 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -147.1 131.85 17.94 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.336 -1.316 . . . . 0.0 109.61 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -97.77 142.06 30.01 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 tt -62.06 144.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 119.223 0.92 . . . . 0.0 109.422 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.05 -59.48 1.89 Allowed 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -176.14 71.95 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 164.23 10.65 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.952 -175.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -136.54 166.72 22.85 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 57.51 25.4 11.44 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.509 -1.234 . . . . 0.0 113.665 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -69.21 -43.28 74.44 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 171.582 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.56 -50.53 71.61 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.446 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.8 -40.08 83.94 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.836 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.59 -48.71 68.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.832 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.6 ttm -68.73 -36.74 78.8 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.499 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -37.77 71.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -63.37 -41.55 98.82 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.233 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.92 -44.98 93.98 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.346 . . 108.87 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.32 156.73 0.1 OUTLIER Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 117.362 -1.304 . . . . 0.0 110.702 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.28 165.7 16.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 124.283 2.565 . . . . 0.0 110.733 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -66.23 -33.76 76.47 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.644 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.84 -50.86 32.63 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.298 0.954 . . . . 0.0 108.697 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.53 64.79 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.806 0.73 . . . . 0.0 111.211 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.67 -48.28 88.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.3 -35.78 81.97 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.576 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -70.2 -41.78 73.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.297 1.408 . . . . 0.0 108.97 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -60.99 151.48 30.41 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 82.16 -51.85 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.782 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.41 153.99 40.2 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.338 0.972 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -126.01 110.74 13.92 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.46 141.35 17.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 120.503 1.501 . . . . 0.0 107.525 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -102.59 101.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 170.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -74.97 157.12 35.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -174.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -160.64 141.36 11.68 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 117.523 -1.227 . . . . 0.0 109.119 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -145.41 164.48 11.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -157.21 131.39 8.38 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.679 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -81.4 150.31 28.44 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.442 1.019 . . . . 0.0 109.375 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.1 55.96 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.56 73.44 1.06 Allowed Glycine 0 C--N 1.356 1.665 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 50.47 51.76 16.19 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.89 104.32 1.92 Allowed 'General case' 0 C--N 1.351 0.67 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -87.82 99.9 12.46 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 m -70.64 94.34 1.0 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 171.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -90.49 154.43 19.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.432 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.2 m -151.6 157.85 42.73 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.022 0.828 . . . . 0.0 112.506 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -134.72 87.77 2.38 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -82.78 98.98 9.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.356 -168.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.21 143.52 97.65 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 115.901 -1.999 . . . . 0.0 106.048 169.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.85 -39.69 39.39 Favored 'Trans proline' 0 C--N 1.358 1.055 0 CA-C-N 123.542 2.301 . . . . 0.0 115.948 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.23 -172.44 10.82 Favored Glycine 0 C--N 1.354 1.531 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.481 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -33.56 44.87 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.498 -1.168 . . . . 0.0 111.057 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -55.54 150.31 12.3 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.78 1.29 . . . . 0.0 109.901 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 p -170.11 93.78 0.23 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.5 146.73 11.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 119.272 -0.971 . . . . 0.0 108.671 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -123.63 142.03 51.44 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -135.26 73.65 1.48 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -63.68 129.11 38.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 117.633 -1.175 . . . . 0.0 108.377 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -148.34 166.91 26.62 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.196 0.907 . . . . 0.0 109.429 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 50.8 m -126.09 145.23 50.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.414 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -73.96 98.03 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.477 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.58 -58.54 0.52 Allowed Glycine 0 C--N 1.358 1.757 0 CA-C-N 119.53 1.059 . . . . 0.0 112.87 170.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -69.01 164.54 22.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 117.621 0.71 . . . . 0.0 111.472 -170.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -72.35 99.1 2.35 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.9 m -79.89 156.3 27.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.861 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -105.13 139.77 39.31 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.22 154.32 39.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.53 176.91 11.49 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.355 -168.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.33 15.2 t 56.98 -175.26 0.06 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.804 1.315 . . . . 0.0 109.977 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.8 mm 65.14 -78.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -169.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 -29.06 59.96 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.07 -1.406 . . . . 0.0 111.542 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.3 -64.77 0.8 Allowed Glycine 0 C--N 1.355 1.626 0 N-CA-C 106.735 -2.546 . . . . 0.0 106.735 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.05 120.97 8.92 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.56 -1.21 . . . . 0.0 107.926 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -67.61 159.54 29.71 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.0 1.273 . . . . 0.0 109.664 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -132.68 157.34 45.1 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 118.274 -0.869 . . . . 0.0 109.709 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -88.7 165.48 14.72 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 165.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.21 159.1 35.71 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.325 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -123.49 88.21 2.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.43 139.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.78 148.4 8.87 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.531 169.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 75.7 mtp -92.68 156.32 17.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.92 0.782 . . . . 0.0 109.374 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.72 55.79 0.68 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.63 -150.59 19.94 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.96 56.3 3.68 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -165.15 160.87 19.1 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.319 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.28 134.5 57.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 124.489 1.118 . . . . 0.0 109.519 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.0 141.7 21.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.291 0.5 OUTLIER -139.71 76.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -79.49 164.11 24.18 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.294 -171.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -162.57 150.8 12.01 Favored Pre-proline 0 C--N 1.352 0.713 0 CA-C-O 115.623 -2.132 . . . . 0.0 108.88 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.23 -27.19 48.72 Favored 'Trans proline' 0 C--N 1.359 1.09 0 CA-C-N 124.205 2.537 . . . . 0.0 113.638 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -139.01 40.91 2.13 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 121.306 1.866 . . . . 0.0 111.217 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 45.7 t80 -176.06 62.82 0.02 OUTLIER 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -64.3 131.32 46.97 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -132.73 154.9 49.75 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -165.43 151.4 9.61 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 119.271 0.941 . . . . 0.0 109.446 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.85 161.15 40.65 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -157.28 114.94 3.11 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.809 -166.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.5 mm -83.27 140.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 170.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.3 141.33 7.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.075 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 37.04 47.19 0.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.22 47.08 92.54 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.727 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -157.94 137.7 12.18 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.22 -1.848 . . . . 0.0 107.604 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 tp -98.18 118.66 35.3 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.809 1.64 . . . . 0.0 108.112 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.43 147.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.74 130.36 25.78 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.77 -1.586 . . . . 0.0 107.761 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -131.58 147.88 32.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 119.827 1.194 . . . . 0.0 108.754 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 m -143.95 154.87 43.76 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 116.82 -1.562 . . . . 0.0 107.828 173.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 m -145.79 145.83 30.95 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.871 1.214 . . . . 0.0 110.157 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.0 51.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 123.692 0.62 . . . . 0.0 109.937 -168.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.09 -78.13 0.4 Allowed Glycine 0 C--N 1.354 1.532 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.52 25.67 3.11 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.645 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 66.8 t -141.99 93.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.721 1.761 . . . . 0.0 106.248 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -70.41 158.5 35.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.37 63.41 1.63 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.73 131.52 47.08 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -151.81 157.81 42.43 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 118.57 0.623 . . . . 0.0 109.81 171.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.68 152.71 20.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.2 p -138.46 129.53 27.01 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -78.85 126.27 30.48 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -77.95 112.18 14.58 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.35 -51.5 6.52 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.639 1.109 . . . . 0.0 109.894 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.782 0 CA-C-N 119.627 1.103 . . . . 0.0 111.137 -178.676 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -66.51 -56.28 11.58 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 m 46.02 73.02 0.19 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 167.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.98 177.37 48.25 Favored Glycine 0 C--N 1.353 1.49 0 C-N-CA 119.45 -1.357 . . . . 0.0 112.912 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -101.06 159.19 15.43 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 172.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -149.62 114.29 5.31 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.94 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.65 124.38 30.77 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.97 1.259 . . . . 0.0 109.636 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.16 142.36 16.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 119.482 1.037 . . . . 0.0 108.986 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.67 -57.15 2.1 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.027 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -123.92 152.85 41.98 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -138.93 61.56 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.31 151.36 35.03 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.023 -168.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 55.85 49.05 16.81 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.631 0.651 . . . . 0.0 110.112 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -94.53 -38.46 10.88 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 117.443 -1.265 . . . . 0.0 108.883 172.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.49 -52.72 63.67 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 121.259 1.845 . . . . 0.0 112.472 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -66.39 -43.7 85.1 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.439 -173.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.93 -46.41 84.89 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.269 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.9 tpp -69.12 -28.28 66.33 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.003 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -68.33 -35.38 77.69 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.023 1.283 . . . . 0.0 110.226 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.55 -50.5 71.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.658 1.572 . . . . 0.0 107.976 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.86 -37.42 76.48 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.06 57.31 0.05 Allowed 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.5 150.78 47.18 Favored Pre-proline 0 C--N 1.353 0.761 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.21 171.96 9.51 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 123.919 2.435 . . . . 0.0 112.223 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 t -57.93 -46.75 84.55 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.941 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -56.67 -48.55 77.36 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.327 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.05 77.98 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.781 0.719 . . . . 0.0 110.088 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.99 -48.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.29 -35.66 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.77 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.57 -43.36 99.0 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.373 1.442 . . . . 0.0 108.515 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.61 -42.08 78.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.392 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.27 -66.98 0.45 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.252 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.25 -35.19 36.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.632 -164.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.49 161.75 28.86 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.017 1.735 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -109.0 93.26 4.42 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -172.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.3 132.4 29.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.427 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.3 mm -102.19 98.86 7.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 103.984 -2.599 . . . . 0.0 103.984 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -72.82 153.33 41.12 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -154.31 144.46 21.98 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.022 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.38 143.61 24.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.002 -1.475 . . . . 0.0 108.091 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -133.09 123.13 25.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -83.84 144.6 29.15 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.85 61.18 1.68 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.192 0.906 . . . . 0.0 109.813 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.62 80.69 0.15 Allowed Glycine 0 C--N 1.355 1.635 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 52.36 57.89 5.97 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.533 1.166 . . . . 0.0 108.098 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -166.66 147.25 6.0 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 170.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -133.97 92.08 2.91 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 107.437 -1.319 . . . . 0.0 107.437 -173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.4 m -73.6 93.05 1.99 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -90.32 155.86 18.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.806 -1.092 . . . . 0.0 108.84 -175.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.6 t -154.52 152.74 30.44 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.232 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -127.54 96.86 4.67 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.43 118.78 34.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.318 -1.325 . . . . 0.0 108.674 -167.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -94.55 122.37 61.1 Favored Pre-proline 0 C--N 1.355 0.834 0 CA-C-O 114.504 -2.665 . . . . 0.0 104.255 -178.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -36.44 89.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 CA-C-N 123.937 2.442 . . . . 0.0 116.063 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 77.64 150.15 4.09 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.827 -0.985 . . . . 0.0 111.044 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.3 -85.27 1.56 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.522 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -104.73 79.72 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.33 1.065 . . . . 0.0 110.536 -169.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.8 p -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.381 -1.295 . . . . 0.0 108.367 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -108.18 149.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 119.69 1.132 . . . . 0.0 108.272 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 m -125.89 151.94 46.22 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -143.55 73.96 1.41 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -64.92 131.93 48.0 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.772 -1.108 . . . . 0.0 108.679 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -150.78 166.38 30.65 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.186 0.903 . . . . 0.0 109.592 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.3 m -136.86 151.38 49.04 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.969 -173.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.59 138.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.607 1.094 . . . . 0.0 111.119 -173.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.08 8.49 58.52 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 116.674 -2.181 . . . . 0.0 116.151 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -92.88 -54.71 3.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 121.027 2.414 . . . . 0.0 109.821 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 121.2 84.5 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.57 150.08 26.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -101.44 129.13 47.41 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.7 mt -121.81 150.19 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-N 119.982 1.265 . . . . 0.0 109.442 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -131.04 127.87 39.15 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 167.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -90.32 77.5 6.61 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.007 1.276 . . . . 0.0 108.417 -172.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.251 0.0 OUTLIER 44.92 87.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 O-C-N 123.908 0.755 . . . . 0.0 111.951 176.211 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.83 56.57 8.07 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.444 172.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.14 -169.39 15.67 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -68.17 164.63 19.99 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -144.04 159.65 42.23 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.341 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -88.82 159.27 17.81 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 164.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.87 85.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 m -67.19 81.9 0.13 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.52 143.95 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.844 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -157.6 114.65 2.98 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.56 -1.209 . . . . 0.0 109.957 -171.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.81 154.6 38.24 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.685 1.584 . . . . 0.0 109.262 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -145.82 67.02 1.2 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.96 56.82 3.93 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.58 -59.25 2.56 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.15 151.82 45.13 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 118.773 1.287 . . . . 0.0 109.511 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.0 p -98.24 146.45 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 117.473 -1.251 . . . . 0.0 107.913 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.32 101.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.86 147.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 166.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -149.88 132.14 15.5 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.619 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 m -144.86 160.64 46.22 Favored Pre-proline 0 C--N 1.358 0.955 0 CA-C-O 116.043 -1.932 . . . . 0.0 108.236 -174.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.74 -22.46 49.86 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 123.605 2.323 . . . . 0.0 112.161 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -147.39 54.98 1.08 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.59 1.541 . . . . 0.0 109.933 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 20.2 t80 167.08 67.15 0.0 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -85.18 145.7 27.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -151.01 149.3 29.4 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.928 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -145.97 157.31 43.88 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 119.861 1.209 . . . . 0.0 108.743 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.03 153.17 41.19 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 124.274 0.984 . . . . 0.0 109.029 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 103' ' ' ILE . 25.8 tt0 -154.04 131.32 11.18 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 116.871 -1.538 . . . . 0.0 108.231 -163.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 102' ' ' GLU . 1.6 mp -111.84 146.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.2 t -141.57 110.15 2.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 50.03 42.01 24.12 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.95 1.705 . . . . 0.0 112.071 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.82 -12.32 17.2 Favored Glycine 0 C--N 1.356 1.654 0 CA-C-O 117.657 -1.635 . . . . 0.0 114.221 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.93 130.01 34.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.518 2.159 . . . . 0.0 105.207 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 tt -104.94 144.52 31.68 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.919 1.236 . . . . 0.0 107.688 -168.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.6 p -154.56 145.49 13.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.445 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.65 171.15 17.59 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.244 0.929 . . . . 0.0 112.537 -168.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.74 150.01 12.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.645 171.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.53 165.54 24.96 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 118.508 0.595 . . . . 0.0 110.228 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -153.81 147.07 24.75 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 117.644 -1.17 . . . . 0.0 108.766 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.02 56.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.581 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 44.62 50.4 8.38 Favored Glycine 0 C--N 1.355 1.638 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.017 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.24 -58.2 0.11 Allowed Glycine 0 C--N 1.35 1.341 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.499 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.5 m -141.02 159.03 23.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.149 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.3 t -103.09 166.3 10.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.006 0.816 . . . . 0.0 109.257 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -140.76 90.56 2.35 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 123.775 0.672 . . . . 0.0 109.61 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -71.31 142.5 50.45 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.116 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -139.59 153.55 47.4 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.1 p -152.86 144.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 119.89 1.223 . . . . 0.0 111.717 -173.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -156.34 169.84 23.66 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.217 0.917 . . . . 0.0 111.212 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 153.55 42.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 120.171 -0.611 . . . . 0.0 112.455 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.26 133.34 52.59 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.41 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -113.18 -63.36 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.62 0.646 . . . . 0.0 111.032 177.364 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.539 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' THR . 74.3 m-85 74.61 -72.03 0.12 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.993 -1.479 . . . . 0.0 111.019 176.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' PHE . 6.9 t -35.26 132.46 0.38 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.096 1.317 . . . . 0.0 113.223 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 171.54 15.31 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -98.07 151.28 20.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.491 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -151.44 156.81 41.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.318 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.82 154.62 47.84 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 123.876 0.735 . . . . 0.0 110.936 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -84.27 98.1 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.77 -40.91 85.31 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -155.25 160.49 40.86 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.897 0.771 . . . . 0.0 111.032 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -175.96 138.85 0.37 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 115.77 -2.062 . . . . 0.0 108.129 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -140.33 51.01 1.68 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 121.43 1.923 . . . . 0.0 111.979 -174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -152.34 35.68 0.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -84.07 -34.53 24.18 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.281 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 14' ' ' TYR . 13.2 p-10 -67.78 -44.57 77.1 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 119.19 0.904 . . . . 0.0 109.859 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -65.7 -34.18 77.61 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.16 -41.75 99.3 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.965 -1.017 . . . . 0.0 111.159 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -56.41 -41.36 76.19 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.704 1.138 . . . . 0.0 109.088 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.9 -29.32 62.91 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.059 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 68.89 55.72 0.44 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.492 0.587 . . . . 0.0 110.451 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -92.12 147.36 34.56 Favored Pre-proline 0 C--N 1.355 0.83 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 169.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.46 163.64 33.95 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.028 2.474 . . . . 0.0 111.54 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 m -57.5 -39.21 75.98 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.527 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -51.58 -49.83 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.486 -0.885 . . . . 0.0 108.903 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.66 81.23 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.457 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.22 -49.5 66.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -57.69 -30.81 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.026 -1.07 . . . . 0.0 110.954 -175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.53 -47.57 72.49 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.048 1.295 . . . . 0.0 108.857 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.74 5.43 21.39 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.366 -1.302 . . . . 0.0 114.001 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -78.51 150.06 32.99 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.77 1.623 . . . . 0.0 106.712 171.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 55.65 58.43 4.52 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 tp -147.47 142.38 26.9 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -133.93 177.44 7.73 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.05 142.44 42.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.083 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.5 mt -95.17 114.27 31.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 124.28 37.42 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -124.34 116.26 22.33 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.51 138.41 35.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -126.68 100.28 6.14 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.24 151.21 47.5 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -144.11 72.06 1.34 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.57 -105.98 2.88 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 106.32 -2.712 . . . . 0.0 106.32 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -123.26 40.09 3.8 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.632 1.716 . . . . 0.0 108.588 169.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -123.65 153.74 40.34 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.79 102.76 5.17 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 119.094 0.861 . . . . 0.0 108.929 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -78.57 91.53 4.6 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.307 -2.849 . . . . 0.0 103.307 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -92.38 90.06 7.07 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m -74.6 148.45 40.75 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.09 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -128.3 85.33 2.33 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -91.26 95.08 9.84 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -159.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -57.32 147.49 57.95 Favored Pre-proline 0 C--N 1.353 0.75 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.858 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.67 174.36 9.54 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.329 1.867 . . . . 0.0 108.526 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.25 -55.96 1.5 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.86 -50.51 0.38 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.34 1.07 . . . . 0.0 111.576 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.46 154.14 17.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 117.66 0.73 . . . . 0.0 111.692 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 p -136.16 154.75 50.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.898 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -115.46 64.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 176.26 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.4 t -59.96 159.38 9.34 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.741 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -125.74 74.51 1.42 Allowed 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 m -62.39 117.11 5.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -141.38 161.84 36.91 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.66 1.118 . . . . 0.0 111.98 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -125.21 152.09 44.99 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.446 1.091 . . . . 0.0 108.756 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.37 142.9 15.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.836 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.71 43.49 94.45 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.701 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -127.85 155.59 43.89 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.63 78.73 1.5 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.18 140.42 46.99 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.837 -1.077 . . . . 0.0 111.613 -169.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.45 132.65 34.95 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mm -118.48 81.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.6 148.49 38.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 m -132.73 149.01 52.34 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.334 1.021 . . . . 0.0 109.741 -172.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.3 155.5 3.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.06 46.56 65.01 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 119.32 -1.419 . . . . 0.0 109.957 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.65 -170.92 31.04 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.245 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.259 18.2 ptpt 54.08 155.11 0.0 OUTLIER 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -139.18 171.0 14.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 97' ' ' TYR . 8.3 m-85 -128.62 105.08 8.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.035 -0.984 . . . . 0.0 108.861 171.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.28 125.02 25.11 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 170.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.07 160.23 44.03 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.353 0.979 . . . . 0.0 111.147 -166.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -100.9 114.19 27.83 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.418 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 t -79.91 154.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -157.34 113.05 2.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.027 -1.94 . . . . 0.0 108.223 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 85' ' ' MET . 3.4 ppp? -108.48 148.14 30.65 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.592 1.542 . . . . 0.0 110.651 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.99 108.89 3.87 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 118.172 -0.918 . . . . 0.0 108.918 -174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.8 -103.85 1.61 Allowed Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.64 -1.644 . . . . 0.0 109.472 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.03 47.7 1.0 Allowed Glycine 0 C--N 1.355 1.639 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.68 162.29 36.34 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.303 -1.332 . . . . 0.0 108.817 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . 0.278 10.2 p -137.05 130.22 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.232 166.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.51 148.69 13.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 147.75 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 167.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -156.07 149.04 24.22 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.312 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 p -136.98 177.4 2.2 Favored Pre-proline 0 C--N 1.356 0.882 0 CA-C-O 116.224 -1.846 . . . . 0.0 107.755 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -51.93 -39.18 69.45 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.594 2.319 . . . . 0.0 114.25 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -119.1 -57.79 1.99 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.481 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 31.1 t80 -72.87 157.11 38.08 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.406 1.003 . . . . 0.0 108.792 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 52.2 t-80 -152.83 154.03 34.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.365 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -156.83 152.77 27.28 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.606 172.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.1 p -143.61 157.84 44.11 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.46 144.34 31.32 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.474 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -146.64 161.36 40.72 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 119.153 0.888 . . . . 0.0 110.036 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.07 144.85 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 O-C-N 124.454 1.097 . . . . 0.0 108.711 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 p -159.41 142.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-O 117.064 -1.446 . . . . 0.0 109.698 171.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.8 t0 45.92 46.1 12.15 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.264 1.393 . . . . 0.0 112.111 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 50.7 38.6 36.78 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.867 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.56 166.11 22.85 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 tp -117.76 146.2 43.95 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.9 t -143.35 125.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -145.59 170.94 15.46 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 120.387 1.449 . . . . 0.0 111.373 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -157.45 144.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.852 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.6 p -130.43 161.33 31.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 m -152.62 150.11 29.15 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.283 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -137.44 69.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.67 -89.32 1.62 Allowed Glycine 0 C--N 1.354 1.579 0 CA-C-O 117.885 -1.508 . . . . 0.0 109.879 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.59 23.57 10.2 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.279 -1.845 . . . . 0.0 113.023 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.95 113.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.894 1.847 . . . . 0.0 108.292 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m -80.66 167.46 20.0 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.317 0.962 . . . . 0.0 109.401 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -149.46 79.96 1.39 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -54.78 164.43 0.78 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.839 0.712 . . . . 0.0 111.035 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -165.26 96.51 0.69 Allowed 'General case' 0 C--N 1.351 0.669 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 169.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.65 152.2 8.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -142.88 159.3 42.49 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.363 0.983 . . . . 0.0 110.435 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -135.76 160.76 37.55 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.354 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -90.18 145.69 24.84 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.356 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.53 -58.58 3.2 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.798 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 176.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 116.826 -1.559 . . . . 0.0 107.53 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p 45.1 65.63 1.06 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.025 1.738 . . . . 0.0 112.776 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 174.99 44.31 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 118.728 -1.701 . . . . 0.0 113.404 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -80.69 161.34 24.67 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -153.77 148.91 26.88 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.243 -1.361 . . . . 0.0 108.594 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -113.14 145.02 41.66 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.3 mt -97.24 132.28 42.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.72 4.34 8.18 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.178 -1.867 . . . . 0.0 113.695 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -173.41 155.15 2.77 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.57 1.986 . . . . 0.0 111.924 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -133.23 -179.58 5.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -149.94 102.6 3.13 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 116.523 -1.703 . . . . 0.0 109.335 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 110.83 61.41 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 O-C-N 124.762 1.289 . . . . 0.0 110.008 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -95.79 3.4 53.79 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.759 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.56 -50.74 4.17 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.543 1.519 . . . . 0.0 109.732 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.61 -40.59 69.7 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.82 -50.4 69.06 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.03 -34.88 79.48 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.921 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -54.04 -52.15 61.77 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -73.48 -35.34 65.67 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.181 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.8 OUTLIER -62.31 -43.92 97.72 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . 100.17 67.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.863 0.727 . . . . 0.0 111.891 168.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 154.12 48.31 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.883 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.8 162.9 39.93 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 122.928 2.082 . . . . 0.0 110.981 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 m -59.47 -45.18 92.39 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.229 -0.891 . . . . 0.0 113.108 -167.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.92 -44.39 86.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.612 1.096 . . . . 0.0 109.584 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.19 90.95 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.185 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.92 -51.8 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.32 -46.38 83.29 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.396 -1.288 . . . . 0.0 111.224 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -71.79 -32.26 67.45 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 120.263 1.392 . . . . 0.0 110.808 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -30.57 66.01 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.695 -1.622 . . . . 0.0 112.492 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -22.61 -49.76 0.02 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -155.94 48.54 0.5 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.541 1.064 . . . . 0.0 110.319 170.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 110.97 2.93 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 101.956 -3.35 . . . . 0.0 101.956 170.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 163.48 27.71 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -165.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.82 139.05 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 116.82 -1.562 . . . . 0.0 109.764 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.4 mt -97.54 141.19 16.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -121.57 161.82 21.7 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.622 0.577 . . . . 0.0 110.261 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -163.0 150.8 13.51 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.679 -1.153 . . . . 0.0 109.259 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.56 148.75 20.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.763 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -136.99 151.31 48.84 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -131.41 145.88 52.01 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.504 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -100.29 -112.83 0.18 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 115.932 -1.985 . . . . 0.0 105.861 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.32 -81.99 0.77 Allowed Glycine 0 C--N 1.357 1.711 0 CA-C-N 122.754 2.524 . . . . 0.0 107.201 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -116.86 27.68 9.0 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 117.755 0.778 . . . . 0.0 109.169 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.38 115.35 29.13 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -93.55 155.63 17.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -136.69 100.9 4.46 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -103.21 152.01 21.98 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.827 -1.083 . . . . 0.0 109.337 -169.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -153.24 114.45 4.17 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.344 -1.313 . . . . 0.0 112.453 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -112.27 138.29 49.19 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -136.01 112.83 10.22 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.019 1.281 . . . . 0.0 111.87 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -69.5 136.75 88.41 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-O 115.367 -2.254 . . . . 0.0 105.246 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.83 -37.24 21.21 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 124.051 2.482 . . . . 0.0 112.44 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.47 166.44 7.06 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.51 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.97 -37.15 28.75 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-O 118.648 -1.085 . . . . 0.0 113.41 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -67.61 154.47 41.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.992 1.396 . . . . 0.0 112.248 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -153.33 156.19 37.9 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.314 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -120.38 90.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 m -103.27 142.58 33.95 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.617 -1.182 . . . . 0.0 108.515 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -145.39 161.35 39.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.967 0.803 . . . . 0.0 109.268 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -147.17 134.19 20.33 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -161.3 161.97 30.8 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.862 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 p -106.89 153.93 21.8 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 124.365 1.041 . . . . 0.0 109.754 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.78 141.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.53 -159.04 38.79 Favored Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.406 -2.278 . . . . 0.0 107.406 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.0 tttt 55.34 -126.15 2.17 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 115.376 -2.25 . . . . 0.0 107.565 172.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -165.85 149.36 7.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 123.149 2.704 . . . . 0.0 110.918 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 83' ' ' VAL . 19.5 p -143.1 175.8 9.59 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 111.384 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -126.05 151.78 46.69 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.637 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.1 152.56 35.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.576 -1.202 . . . . 0.0 108.107 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -144.11 84.4 1.77 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 -71.2 0.23 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.938 -1.029 . . . . 0.0 113.701 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.47 -55.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.646 1.112 . . . . 0.0 108.272 -170.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.48 135.45 1.9 Allowed Glycine 0 C--N 1.353 1.514 0 CA-C-O 118.038 -1.423 . . . . 0.0 111.744 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 16.82 68.0 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 119.614 1.707 . . . . 0.0 112.682 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -136.03 66.4 1.5 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.77 1.785 . . . . 0.0 107.06 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -68.31 143.47 55.19 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.85 166.65 20.42 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -113.47 151.07 31.93 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.31 142.75 14.64 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.859 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 p -103.59 86.18 2.58 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' SG ' ' A' ' 69' ' ' CYS . 8.7 t -52.81 140.33 8.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 C-N-CA 119.446 -0.902 . . . . 0.0 108.678 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -131.84 167.15 20.06 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.71 133.8 34.6 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.692 -1.147 . . . . 0.0 108.551 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -140.31 127.6 21.17 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.1 -155.66 52.47 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -171.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.86 55.25 1.62 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.349 -1.901 . . . . 0.0 108.349 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -151.37 121.11 7.01 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.155 -1.402 . . . . 0.0 108.983 -171.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.45 146.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 120.04 1.291 . . . . 0.0 108.963 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.14 155.44 38.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.11 154.1 30.4 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.893 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.45 136.96 35.16 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.425 -1.274 . . . . 0.0 108.682 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -138.42 159.8 66.31 Favored Pre-proline 0 C--N 1.356 0.864 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.932 -174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -44.19 -44.44 12.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 CA-C-N 123.102 2.144 . . . . 0.0 114.794 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -145.85 52.7 1.16 Allowed 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.694 1.134 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 78.3 t80 -171.01 71.11 0.05 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -70.55 147.05 49.73 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -151.66 150.71 30.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.623 -1.18 . . . . 0.0 109.815 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.6 p -148.97 162.43 39.91 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.549 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.04 159.7 42.16 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.369 1.043 . . . . 0.0 109.736 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -152.1 150.91 30.43 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.502 -166.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mm -120.81 127.24 75.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.401 -1.285 . . . . 0.0 107.87 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.96 152.87 11.7 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.744 -1.122 . . . . 0.0 108.878 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 47.93 37.6 7.79 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.462 1.028 . . . . 0.0 113.109 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 55.42 39.03 71.75 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.047 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -137.66 166.94 22.72 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.8 tt -114.87 125.09 53.25 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.32 149.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.67 157.86 37.34 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 119.431 1.014 . . . . 0.0 111.026 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.87 165.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 118.73 0.695 . . . . 0.0 110.062 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 m -142.36 146.14 34.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 163.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.3 m -152.24 154.51 35.91 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 119.666 1.121 . . . . 0.0 110.011 -171.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -143.65 60.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.32 15.03 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.669 -1.073 . . . . 0.0 112.373 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.01 -64.56 0.49 Allowed Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.3 t -92.38 137.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.8 p -111.42 166.45 11.11 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -143.21 65.57 1.33 Allowed 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.67 146.09 26.69 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.219 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -154.26 159.92 41.54 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.301 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.21 162.85 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.519 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 m -155.21 152.44 29.35 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.654 -171.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -97.56 165.58 11.92 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.287 0.992 . . . . 0.0 108.664 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . 0.26 1.7 pt? -155.94 51.29 0.54 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.131 0.878 . . . . 0.0 111.608 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.761 0 CA-C-O 120.731 0.301 . . . . 0.0 110.479 174.492 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 t -48.81 147.99 2.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.929 1.24 . . . . 0.0 111.963 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.88 15.18 Favored Glycine 0 C--N 1.358 1.788 0 CA-C-N 119.345 0.975 . . . . 0.0 112.017 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -95.5 152.65 18.23 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -148.04 157.41 43.5 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -130.6 161.35 31.76 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 tt -97.73 134.78 34.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-O 117.612 -1.185 . . . . 0.0 108.281 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.4 -61.05 2.04 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 168.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -157.98 157.55 33.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.48 -0.772 . . . . 0.0 110.079 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -92.22 170.94 9.41 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.671 -1.157 . . . . 0.0 107.906 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -154.77 136.23 14.19 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.76 1.164 . . . . 0.0 110.751 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 59.61 43.23 16.08 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.644 1.111 . . . . 0.0 110.744 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 25.4 p90 -82.75 -44.13 15.96 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 10.9 p-10 -61.99 -45.67 92.59 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 118.125 -0.94 . . . . 0.0 112.301 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -71.91 -29.95 64.86 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.806 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.71 -49.21 55.51 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.2 mtt -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.086 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -50.57 73.28 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.48 -37.28 83.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.224 -1.369 . . . . 0.0 110.785 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.19 -40.72 64.62 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.919 1.69 . . . . 0.0 107.701 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 92.05 59.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.709 1.256 . . . . 0.0 108.542 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.42 145.18 29.23 Favored Pre-proline 0 C--N 1.357 0.925 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.07 -76.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 123.673 2.347 . . . . 0.0 115.255 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -161.6 -59.39 0.05 OUTLIER 'General case' 0 C--N 1.355 0.813 0 CA-C-N 121.034 1.743 . . . . 0.0 111.246 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.36 -39.45 76.02 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.41 1.459 . . . . 0.0 107.725 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.1 83.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.595 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.93 -50.44 79.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.35 -42.44 91.54 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 117.628 -1.177 . . . . 0.0 112.52 -172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -30.44 66.27 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.712 1.596 . . . . 0.0 110.698 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.194 0.906 . . . . 0.0 111.047 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -55.61 150.54 12.12 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.291 0.95 . . . . 0.0 109.383 175.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.77 34.7 7.86 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 161.22 30.72 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.847 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -126.18 62.78 1.25 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -72.21 141.12 16.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.621 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.65 133.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 159.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -101.59 111.04 23.15 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -122.93 139.15 54.36 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.655 1.571 . . . . 0.0 107.462 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.86 152.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.829 -1.081 . . . . 0.0 108.553 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -126.2 147.86 49.57 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 169.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.27 139.7 53.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -141.39 -138.72 0.12 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.484 -1.722 . . . . 0.0 109.208 -174.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.86 96.0 0.18 Allowed Glycine 0 C--N 1.355 1.618 0 CA-C-N 122.619 2.463 . . . . 0.0 109.718 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 38.83 34.84 0.1 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 119.076 1.438 . . . . 0.0 112.436 -175.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -131.75 158.12 42.02 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 31.7 m-85 -139.14 139.33 37.6 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.588 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.2 m -117.8 84.21 2.13 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 101.88 -3.378 . . . . 0.0 101.88 168.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -99.47 135.8 40.36 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.642 -1.647 . . . . 0.0 107.237 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -148.07 160.98 42.3 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.324 1.42 . . . . 0.0 111.368 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -133.23 119.75 20.24 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -85.82 71.05 10.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.982 1.265 . . . . 0.0 109.765 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.54 138.38 76.2 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.093 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.96 -179.36 4.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 122.609 1.968 . . . . 0.0 114.371 -169.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.73 13.39 83.09 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.913 -1.493 . . . . 0.0 111.998 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.28 48.84 65.34 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 120.248 2.024 . . . . 0.0 110.347 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -138.27 55.55 1.75 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -54.82 143.78 24.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.552 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.64 78.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 m -71.0 149.39 46.69 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.127 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -147.03 72.71 1.28 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.6 m -73.45 128.68 36.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 20.9 p90 -150.36 159.08 44.72 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 119.886 1.221 . . . . 0.0 112.149 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.9 m -131.25 140.34 49.82 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.43 145.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.079 -0.962 . . . . 0.0 108.82 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.03 -58.37 2.09 Favored Glycine 0 C--N 1.357 1.711 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.75 161.86 17.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.523 1.162 . . . . 0.0 111.401 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.12 119.93 19.01 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 170.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 m -99.06 147.09 25.4 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 119.587 1.085 . . . . 0.0 110.763 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.04 145.62 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 mm -142.69 143.85 25.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.852 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.98 177.23 5.88 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 m -130.75 -62.68 0.9 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.918 -1.515 . . . . 0.0 110.396 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.2 tp 173.82 -46.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.171 1.35 . . . . 0.0 109.812 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 65.74 3.77 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.23 35.41 34.49 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 117.558 -1.69 . . . . 0.0 113.097 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -90.34 157.45 17.63 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.456 1.628 . . . . 0.0 109.125 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -167.15 108.15 0.63 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.14 158.86 43.71 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 119.294 0.952 . . . . 0.0 108.927 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -88.51 151.32 22.6 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.83 149.47 14.61 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.22 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -87.87 140.49 29.45 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.566 -1.207 . . . . 0.0 110.523 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -102.06 143.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.74 164.06 32.15 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 166.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.0 142.52 47.29 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.858 -171.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.13 151.07 20.83 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.788 -1.101 . . . . 0.0 110.13 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.9 -145.74 19.77 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.961 -1.655 . . . . 0.0 108.961 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.05 53.68 0.94 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -144.39 164.51 30.6 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 117.726 0.763 . . . . 0.0 110.041 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 p -119.3 143.86 29.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.74 114.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.824 1.193 . . . . 0.0 109.949 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 145.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 162.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -153.05 66.63 0.79 Allowed 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 118.531 -1.268 . . . . 0.0 112.389 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.4 p -89.89 139.92 27.65 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-O 115.701 -2.095 . . . . 0.0 105.43 167.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -46.17 -42.4 21.52 Favored 'Trans proline' 0 C--N 1.358 1.032 0 CA-C-N 123.299 2.214 . . . . 0.0 114.505 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -78.41 -64.73 1.1 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.029 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -96.09 79.79 3.23 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.92 147.56 40.84 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -159.59 155.27 25.97 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.491 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -145.03 164.61 30.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 150.89 37.02 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 124.946 1.404 . . . . 0.0 107.491 166.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.83 156.47 36.26 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.108 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.7 mm -102.89 146.5 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 170.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.26 131.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.906 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.73 -88.74 0.02 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-N 119.378 0.99 . . . . 0.0 109.932 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.62 47.61 0.54 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -146.44 165.25 29.95 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -110.96 143.52 41.5 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.81 148.31 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 159.47 36.72 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.838 1.199 . . . . 0.0 111.483 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.95 161.96 8.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.154 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -129.02 144.64 51.25 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 164.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 m -142.97 150.39 39.63 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.316 1.416 . . . . 0.0 110.606 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -134.96 61.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.93 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.44 -84.98 0.43 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.45 -57.31 2.63 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.803 -0.998 . . . . 0.0 112.405 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.66 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 118.335 1.068 . . . . 0.0 109.364 -169.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.2 p -119.06 164.59 15.3 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 124.174 0.921 . . . . 0.0 109.756 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 76.87 1.62 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.42 152.41 32.21 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.728 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -143.13 157.19 44.74 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.0 152.98 37.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.631 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 m -155.53 165.67 35.87 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 118.845 0.748 . . . . 0.0 111.353 -170.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 167.52 17.17 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.04 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -103.84 134.79 46.55 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.794 -1.098 . . . . 0.0 111.877 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 4.9 tt -86.91 -57.53 2.94 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 170.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 126' ' ' LEU . . . . . . . . 0 C--N 1.358 0.964 0 O-C-N 124.585 1.178 . . . . 0.0 108.163 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.22 -0.456 0 N-CA-C 103.551 -2.759 . . . . 0.0 103.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p 39.63 68.42 0.38 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.868 0.73 . . . . 0.0 112.48 166.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.04 -172.03 39.63 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.333 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -123.38 156.18 35.91 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.504 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -147.1 131.85 17.94 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.336 -1.316 . . . . 0.0 109.61 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -97.77 142.06 30.01 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 tt -62.06 144.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 119.223 0.92 . . . . 0.0 109.422 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.05 -59.48 1.89 Allowed 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -176.14 71.95 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 164.23 10.65 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.952 -175.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -136.54 166.72 22.85 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 57.51 25.4 11.44 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.509 -1.234 . . . . 0.0 113.665 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -69.21 -43.28 74.44 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 171.582 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.56 -50.53 71.61 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.446 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.8 -40.08 83.94 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.836 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.59 -48.71 68.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.832 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.6 ttm -68.73 -36.74 78.8 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.499 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -37.77 71.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -63.37 -41.55 98.82 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.233 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.92 -44.98 93.98 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.346 . . 108.87 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.32 156.73 0.1 OUTLIER Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 117.362 -1.304 . . . . 0.0 110.702 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.28 165.7 16.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 124.283 2.565 . . . . 0.0 110.733 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -66.23 -33.76 76.47 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.644 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.84 -50.86 32.63 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.298 0.954 . . . . 0.0 108.697 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.53 64.79 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.806 0.73 . . . . 0.0 111.211 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.67 -48.28 88.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.3 -35.78 81.97 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.576 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -70.2 -41.78 73.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.297 1.408 . . . . 0.0 108.97 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -60.99 151.48 30.41 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 82.16 -51.85 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.782 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.41 153.99 40.2 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.338 0.972 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -126.01 110.74 13.92 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.46 141.35 17.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 120.503 1.501 . . . . 0.0 107.525 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -102.59 101.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 170.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -74.97 157.12 35.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -174.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -160.64 141.36 11.68 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 117.523 -1.227 . . . . 0.0 109.119 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -145.41 164.48 11.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -157.21 131.39 8.38 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.679 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -81.4 150.31 28.44 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.442 1.019 . . . . 0.0 109.375 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.1 55.96 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.56 73.44 1.06 Allowed Glycine 0 C--N 1.356 1.665 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 50.47 51.76 16.19 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.89 104.32 1.92 Allowed 'General case' 0 C--N 1.351 0.67 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -87.82 99.9 12.46 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 m -70.64 94.34 1.0 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 171.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -90.49 154.43 19.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.432 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.2 m -151.6 157.85 42.73 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.022 0.828 . . . . 0.0 112.506 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -134.72 87.77 2.38 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -82.78 98.98 9.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.356 -168.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.21 143.52 97.65 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 115.901 -1.999 . . . . 0.0 106.048 169.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.85 -39.69 39.39 Favored 'Trans proline' 0 C--N 1.358 1.055 0 CA-C-N 123.542 2.301 . . . . 0.0 115.948 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.23 -172.44 10.82 Favored Glycine 0 C--N 1.354 1.531 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.481 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -33.56 44.87 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.498 -1.168 . . . . 0.0 111.057 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -55.54 150.31 12.3 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.78 1.29 . . . . 0.0 109.901 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 p -170.11 93.78 0.23 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.5 146.73 11.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 119.272 -0.971 . . . . 0.0 108.671 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -123.63 142.03 51.44 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -135.26 73.65 1.48 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -63.68 129.11 38.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 117.633 -1.175 . . . . 0.0 108.377 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -148.34 166.91 26.62 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.196 0.907 . . . . 0.0 109.429 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 50.8 m -126.09 145.23 50.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.414 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -73.96 98.03 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.477 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.58 -58.54 0.52 Allowed Glycine 0 C--N 1.358 1.757 0 CA-C-N 119.53 1.059 . . . . 0.0 112.87 170.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -69.01 164.54 22.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 117.621 0.71 . . . . 0.0 111.472 -170.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -72.35 99.1 2.35 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.9 m -79.89 156.3 27.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.861 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -105.13 139.77 39.31 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.22 154.32 39.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.53 176.91 11.49 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.355 -168.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.33 15.2 t 56.98 -175.26 0.06 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.804 1.315 . . . . 0.0 109.977 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.8 mm 65.14 -78.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -169.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 -29.06 59.96 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.07 -1.406 . . . . 0.0 111.542 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.3 -64.77 0.8 Allowed Glycine 0 C--N 1.355 1.626 0 N-CA-C 106.735 -2.546 . . . . 0.0 106.735 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.05 120.97 8.92 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.56 -1.21 . . . . 0.0 107.926 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -67.61 159.54 29.71 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.0 1.273 . . . . 0.0 109.664 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -132.68 157.34 45.1 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 118.274 -0.869 . . . . 0.0 109.709 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -88.7 165.48 14.72 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 165.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.21 159.1 35.71 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.325 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -123.49 88.21 2.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.43 139.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.78 148.4 8.87 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.531 169.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 75.7 mtp -92.68 156.32 17.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.92 0.782 . . . . 0.0 109.374 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.72 55.79 0.68 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.63 -150.59 19.94 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.96 56.3 3.68 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -165.15 160.87 19.1 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.319 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.28 134.5 57.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 124.489 1.118 . . . . 0.0 109.519 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.0 141.7 21.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.291 0.5 OUTLIER -139.71 76.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -79.49 164.11 24.18 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.294 -171.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -162.57 150.8 12.01 Favored Pre-proline 0 C--N 1.352 0.713 0 CA-C-O 115.623 -2.132 . . . . 0.0 108.88 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.23 -27.19 48.72 Favored 'Trans proline' 0 C--N 1.359 1.09 0 CA-C-N 124.205 2.537 . . . . 0.0 113.638 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -139.01 40.91 2.13 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 121.306 1.866 . . . . 0.0 111.217 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 45.7 t80 -176.06 62.82 0.02 OUTLIER 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -64.3 131.32 46.97 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -132.73 154.9 49.75 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -165.43 151.4 9.61 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 119.271 0.941 . . . . 0.0 109.446 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.85 161.15 40.65 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -157.28 114.94 3.11 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.809 -166.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.5 mm -83.27 140.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 170.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.3 141.33 7.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.075 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 37.04 47.19 0.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.22 47.08 92.54 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.727 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -157.94 137.7 12.18 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.22 -1.848 . . . . 0.0 107.604 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 tp -98.18 118.66 35.3 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.809 1.64 . . . . 0.0 108.112 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.43 147.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.74 130.36 25.78 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.77 -1.586 . . . . 0.0 107.761 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -131.58 147.88 32.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 119.827 1.194 . . . . 0.0 108.754 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 m -143.95 154.87 43.76 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 116.82 -1.562 . . . . 0.0 107.828 173.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 m -145.79 145.83 30.95 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.871 1.214 . . . . 0.0 110.157 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.0 51.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 123.692 0.62 . . . . 0.0 109.937 -168.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.09 -78.13 0.4 Allowed Glycine 0 C--N 1.354 1.532 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.52 25.67 3.11 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.645 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 66.8 t -141.99 93.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.721 1.761 . . . . 0.0 106.248 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -70.41 158.5 35.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.37 63.41 1.63 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.73 131.52 47.08 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -151.81 157.81 42.43 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 118.57 0.623 . . . . 0.0 109.81 171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.68 152.71 20.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.2 p -138.46 129.53 27.01 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -78.85 126.27 30.48 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -77.95 112.18 14.58 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.35 -51.5 6.52 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.639 1.109 . . . . 0.0 109.894 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.782 0 CA-C-N 119.627 1.103 . . . . 0.0 111.137 -178.676 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 . . . . . 0 CA--C 1.509 -0.6 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 m 46.02 73.02 0.19 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 167.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.98 177.37 48.25 Favored Glycine 0 C--N 1.353 1.49 0 C-N-CA 119.45 -1.357 . . . . 0.0 112.912 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -101.06 159.19 15.43 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 172.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -149.62 114.29 5.31 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.94 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.65 124.38 30.77 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.97 1.259 . . . . 0.0 109.636 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.16 142.36 16.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 119.482 1.037 . . . . 0.0 108.986 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.67 -57.15 2.1 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.027 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -123.92 152.85 41.98 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -138.93 61.56 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.31 151.36 35.03 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.023 -168.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 55.85 49.05 16.81 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.631 0.651 . . . . 0.0 110.112 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -94.53 -38.46 10.88 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 117.443 -1.265 . . . . 0.0 108.883 172.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.49 -52.72 63.67 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 121.259 1.845 . . . . 0.0 112.472 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -66.39 -43.7 85.1 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.439 -173.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.93 -46.41 84.89 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.269 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.9 tpp -69.12 -28.28 66.33 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.003 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -68.33 -35.38 77.69 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.023 1.283 . . . . 0.0 110.226 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.55 -50.5 71.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.658 1.572 . . . . 0.0 107.976 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.86 -37.42 76.48 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.06 57.31 0.05 Allowed 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.5 150.78 47.18 Favored Pre-proline 0 C--N 1.353 0.761 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.21 171.96 9.51 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 123.919 2.435 . . . . 0.0 112.223 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 t -57.93 -46.75 84.55 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.941 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -56.67 -48.55 77.36 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.327 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.05 77.98 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.781 0.719 . . . . 0.0 110.088 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.99 -48.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.29 -35.66 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.77 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.57 -43.36 99.0 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.373 1.442 . . . . 0.0 108.515 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.61 -42.08 78.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.392 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.27 -66.98 0.45 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.252 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.25 -35.19 36.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.632 -164.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.49 161.75 28.86 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.017 1.735 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -109.0 93.26 4.42 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -172.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.3 132.4 29.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.427 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.3 mm -102.19 98.86 7.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 103.984 -2.599 . . . . 0.0 103.984 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -72.82 153.33 41.12 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -154.31 144.46 21.98 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.022 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.38 143.61 24.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.002 -1.475 . . . . 0.0 108.091 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -133.09 123.13 25.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -83.84 144.6 29.15 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.85 61.18 1.68 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.192 0.906 . . . . 0.0 109.813 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.62 80.69 0.15 Allowed Glycine 0 C--N 1.355 1.635 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 52.36 57.89 5.97 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.533 1.166 . . . . 0.0 108.098 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -166.66 147.25 6.0 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 170.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -133.97 92.08 2.91 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 107.437 -1.319 . . . . 0.0 107.437 -173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.4 m -73.6 93.05 1.99 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -90.32 155.86 18.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.806 -1.092 . . . . 0.0 108.84 -175.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.6 t -154.52 152.74 30.44 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.232 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -127.54 96.86 4.67 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.43 118.78 34.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.318 -1.325 . . . . 0.0 108.674 -167.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -94.55 122.37 61.1 Favored Pre-proline 0 C--N 1.355 0.834 0 CA-C-O 114.504 -2.665 . . . . 0.0 104.255 -178.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -36.44 89.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 CA-C-N 123.937 2.442 . . . . 0.0 116.063 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 77.64 150.15 4.09 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.827 -0.985 . . . . 0.0 111.044 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.3 -85.27 1.56 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.522 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -104.73 79.72 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.33 1.065 . . . . 0.0 110.536 -169.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.8 p -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.381 -1.295 . . . . 0.0 108.367 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -108.18 149.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 119.69 1.132 . . . . 0.0 108.272 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 m -125.89 151.94 46.22 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -143.55 73.96 1.41 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -64.92 131.93 48.0 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.772 -1.108 . . . . 0.0 108.679 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -150.78 166.38 30.65 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.186 0.903 . . . . 0.0 109.592 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.3 m -136.86 151.38 49.04 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.969 -173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.59 138.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.607 1.094 . . . . 0.0 111.119 -173.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.08 8.49 58.52 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 116.674 -2.181 . . . . 0.0 116.151 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -92.88 -54.71 3.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 121.027 2.414 . . . . 0.0 109.821 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 121.2 84.5 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.57 150.08 26.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -101.44 129.13 47.41 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.7 mt -121.81 150.19 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-N 119.982 1.265 . . . . 0.0 109.442 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -131.04 127.87 39.15 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 167.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -90.32 77.5 6.61 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.007 1.276 . . . . 0.0 108.417 -172.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.251 0.0 OUTLIER 44.92 87.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 O-C-N 123.908 0.755 . . . . 0.0 111.951 176.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.83 56.57 8.07 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.444 172.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.14 -169.39 15.67 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -68.17 164.63 19.99 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -144.04 159.65 42.23 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.341 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -88.82 159.27 17.81 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 164.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.87 85.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 m -67.19 81.9 0.13 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.52 143.95 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.844 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -157.6 114.65 2.98 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.56 -1.209 . . . . 0.0 109.957 -171.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.81 154.6 38.24 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.685 1.584 . . . . 0.0 109.262 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -145.82 67.02 1.2 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.96 56.82 3.93 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.58 -59.25 2.56 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.15 151.82 45.13 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 118.773 1.287 . . . . 0.0 109.511 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.0 p -98.24 146.45 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 117.473 -1.251 . . . . 0.0 107.913 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.32 101.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.86 147.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 166.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -149.88 132.14 15.5 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.619 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 m -144.86 160.64 46.22 Favored Pre-proline 0 C--N 1.358 0.955 0 CA-C-O 116.043 -1.932 . . . . 0.0 108.236 -174.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.74 -22.46 49.86 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 123.605 2.323 . . . . 0.0 112.161 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -147.39 54.98 1.08 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.59 1.541 . . . . 0.0 109.933 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 20.2 t80 167.08 67.15 0.0 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -85.18 145.7 27.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -151.01 149.3 29.4 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.928 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -145.97 157.31 43.88 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 119.861 1.209 . . . . 0.0 108.743 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.03 153.17 41.19 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 124.274 0.984 . . . . 0.0 109.029 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 103' ' ' ILE . 25.8 tt0 -154.04 131.32 11.18 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 116.871 -1.538 . . . . 0.0 108.231 -163.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 102' ' ' GLU . 1.6 mp -111.84 146.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.2 t -141.57 110.15 2.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 50.03 42.01 24.12 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.95 1.705 . . . . 0.0 112.071 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.82 -12.32 17.2 Favored Glycine 0 C--N 1.356 1.654 0 CA-C-O 117.657 -1.635 . . . . 0.0 114.221 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.93 130.01 34.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.518 2.159 . . . . 0.0 105.207 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 tt -104.94 144.52 31.68 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.919 1.236 . . . . 0.0 107.688 -168.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.6 p -154.56 145.49 13.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.445 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.65 171.15 17.59 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.244 0.929 . . . . 0.0 112.537 -168.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.74 150.01 12.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.645 171.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.53 165.54 24.96 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 118.508 0.595 . . . . 0.0 110.228 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -153.81 147.07 24.75 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 117.644 -1.17 . . . . 0.0 108.766 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.02 56.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.581 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 44.62 50.4 8.38 Favored Glycine 0 C--N 1.355 1.638 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.017 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.24 -58.2 0.11 Allowed Glycine 0 C--N 1.35 1.341 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.499 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.5 m -141.02 159.03 23.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.149 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.3 t -103.09 166.3 10.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.006 0.816 . . . . 0.0 109.257 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -140.76 90.56 2.35 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 123.775 0.672 . . . . 0.0 109.61 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -71.31 142.5 50.45 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.116 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -139.59 153.55 47.4 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.1 p -152.86 144.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 119.89 1.223 . . . . 0.0 111.717 -173.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -156.34 169.84 23.66 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.217 0.917 . . . . 0.0 111.212 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 153.55 42.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 120.171 -0.611 . . . . 0.0 112.455 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.26 133.34 52.59 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.41 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -113.18 -63.36 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.62 0.646 . . . . 0.0 111.032 177.364 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' THR . 74.3 m-85 . . . . . 0 CA--C 1.512 -0.499 0 CA-C-O 116.993 -1.479 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' PHE . 6.9 t -35.26 132.46 0.38 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.096 1.317 . . . . 0.0 113.223 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 171.54 15.31 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -98.07 151.28 20.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.491 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -151.44 156.81 41.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.318 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.82 154.62 47.84 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 123.876 0.735 . . . . 0.0 110.936 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -84.27 98.1 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.77 -40.91 85.31 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -155.25 160.49 40.86 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.897 0.771 . . . . 0.0 111.032 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -175.96 138.85 0.37 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 115.77 -2.062 . . . . 0.0 108.129 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -140.33 51.01 1.68 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 121.43 1.923 . . . . 0.0 111.979 -174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -152.34 35.68 0.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -84.07 -34.53 24.18 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 14' ' ' TYR . 13.2 p-10 -67.78 -44.57 77.1 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 119.19 0.904 . . . . 0.0 109.859 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -65.7 -34.18 77.61 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.16 -41.75 99.3 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.965 -1.017 . . . . 0.0 111.159 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -56.41 -41.36 76.19 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.704 1.138 . . . . 0.0 109.088 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.9 -29.32 62.91 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.059 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 68.89 55.72 0.44 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.492 0.587 . . . . 0.0 110.451 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -92.12 147.36 34.56 Favored Pre-proline 0 C--N 1.355 0.83 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 169.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.46 163.64 33.95 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.028 2.474 . . . . 0.0 111.54 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 m -57.5 -39.21 75.98 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.527 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -51.58 -49.83 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.486 -0.885 . . . . 0.0 108.903 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.66 81.23 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.457 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.22 -49.5 66.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -57.69 -30.81 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.026 -1.07 . . . . 0.0 110.954 -175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.53 -47.57 72.49 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.048 1.295 . . . . 0.0 108.857 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.74 5.43 21.39 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.366 -1.302 . . . . 0.0 114.001 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -78.51 150.06 32.99 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.77 1.623 . . . . 0.0 106.712 171.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 55.65 58.43 4.52 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 tp -147.47 142.38 26.9 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -133.93 177.44 7.73 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.05 142.44 42.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.083 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.5 mt -95.17 114.27 31.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 124.28 37.42 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -124.34 116.26 22.33 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.51 138.41 35.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -126.68 100.28 6.14 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.24 151.21 47.5 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -144.11 72.06 1.34 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.57 -105.98 2.88 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 106.32 -2.712 . . . . 0.0 106.32 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -123.26 40.09 3.8 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.632 1.716 . . . . 0.0 108.588 169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -123.65 153.74 40.34 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.79 102.76 5.17 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 119.094 0.861 . . . . 0.0 108.929 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -78.57 91.53 4.6 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.307 -2.849 . . . . 0.0 103.307 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -92.38 90.06 7.07 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m -74.6 148.45 40.75 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.09 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -128.3 85.33 2.33 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -91.26 95.08 9.84 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -159.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -57.32 147.49 57.95 Favored Pre-proline 0 C--N 1.353 0.75 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.858 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.67 174.36 9.54 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.329 1.867 . . . . 0.0 108.526 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.25 -55.96 1.5 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.86 -50.51 0.38 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.34 1.07 . . . . 0.0 111.576 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.46 154.14 17.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 117.66 0.73 . . . . 0.0 111.692 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 p -136.16 154.75 50.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.898 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -115.46 64.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 176.26 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.4 t -59.96 159.38 9.34 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.741 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -125.74 74.51 1.42 Allowed 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 m -62.39 117.11 5.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -141.38 161.84 36.91 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.66 1.118 . . . . 0.0 111.98 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -125.21 152.09 44.99 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.446 1.091 . . . . 0.0 108.756 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.37 142.9 15.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.836 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.71 43.49 94.45 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.701 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -127.85 155.59 43.89 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.63 78.73 1.5 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.18 140.42 46.99 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.837 -1.077 . . . . 0.0 111.613 -169.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.45 132.65 34.95 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mm -118.48 81.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.6 148.49 38.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 m -132.73 149.01 52.34 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.334 1.021 . . . . 0.0 109.741 -172.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.3 155.5 3.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.06 46.56 65.01 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 119.32 -1.419 . . . . 0.0 109.957 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.65 -170.92 31.04 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.245 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.259 18.2 ptpt 54.08 155.11 0.0 OUTLIER 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -139.18 171.0 14.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 97' ' ' TYR . 8.3 m-85 -128.62 105.08 8.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.035 -0.984 . . . . 0.0 108.861 171.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.28 125.02 25.11 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 170.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.07 160.23 44.03 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.353 0.979 . . . . 0.0 111.147 -166.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -100.9 114.19 27.83 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.418 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 t -79.91 154.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -157.34 113.05 2.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.027 -1.94 . . . . 0.0 108.223 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 85' ' ' MET . 3.4 ppp? -108.48 148.14 30.65 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.592 1.542 . . . . 0.0 110.651 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.99 108.89 3.87 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 118.172 -0.918 . . . . 0.0 108.918 -174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.8 -103.85 1.61 Allowed Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.64 -1.644 . . . . 0.0 109.472 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.03 47.7 1.0 Allowed Glycine 0 C--N 1.355 1.639 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.68 162.29 36.34 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.303 -1.332 . . . . 0.0 108.817 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . 0.278 10.2 p -137.05 130.22 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.232 166.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.51 148.69 13.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 147.75 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 167.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -156.07 149.04 24.22 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.312 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 p -136.98 177.4 2.2 Favored Pre-proline 0 C--N 1.356 0.882 0 CA-C-O 116.224 -1.846 . . . . 0.0 107.755 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -51.93 -39.18 69.45 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.594 2.319 . . . . 0.0 114.25 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -119.1 -57.79 1.99 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.481 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 31.1 t80 -72.87 157.11 38.08 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.406 1.003 . . . . 0.0 108.792 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 6.4 t60 -152.83 154.03 34.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.365 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -156.83 152.77 27.28 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.606 172.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.1 p -143.61 157.84 44.11 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.46 144.34 31.32 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.474 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -146.64 161.36 40.72 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 119.153 0.888 . . . . 0.0 110.036 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.07 144.85 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 O-C-N 124.454 1.097 . . . . 0.0 108.711 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 p -159.41 142.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-O 117.064 -1.446 . . . . 0.0 109.698 171.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.8 t0 45.92 46.1 12.15 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.264 1.393 . . . . 0.0 112.111 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 50.7 38.6 36.78 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.867 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.56 166.11 22.85 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 tp -117.76 146.2 43.95 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.9 t -143.35 125.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -145.59 170.94 15.46 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 120.387 1.449 . . . . 0.0 111.373 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -157.45 144.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.852 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.6 p -130.43 161.33 31.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 m -152.62 150.11 29.15 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.283 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -137.44 69.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.67 -89.32 1.62 Allowed Glycine 0 C--N 1.354 1.579 0 CA-C-O 117.885 -1.508 . . . . 0.0 109.879 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.59 23.57 10.2 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.279 -1.845 . . . . 0.0 113.023 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.95 113.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.894 1.847 . . . . 0.0 108.292 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m -80.66 167.46 20.0 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.317 0.962 . . . . 0.0 109.401 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -149.46 79.96 1.39 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -54.78 164.43 0.78 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.839 0.712 . . . . 0.0 111.035 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -165.26 96.51 0.69 Allowed 'General case' 0 C--N 1.351 0.669 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 169.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.65 152.2 8.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -142.88 159.3 42.49 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.363 0.983 . . . . 0.0 110.435 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -135.76 160.76 37.55 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.354 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -90.18 145.69 24.84 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.356 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.53 -58.58 3.2 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.798 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 176.862 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.562 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -85.23 -86.58 0.13 Allowed 'General case' 0 C--N 1.353 0.759 0 CA-C-O 116.826 -1.559 . . . . 0.0 107.53 -174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.4 p 45.1 65.63 1.06 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-N 121.025 1.738 . . . . 0.0 112.776 171.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.44 174.99 44.31 Favored Glycine 0 C--N 1.351 1.392 0 C-N-CA 118.728 -1.701 . . . . 0.0 113.404 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -80.69 161.34 24.67 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -153.77 148.91 26.88 Favored 'General case' 0 CA--C 1.508 -0.655 0 CA-C-O 117.243 -1.361 . . . . 0.0 108.594 176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -113.14 145.02 41.66 Favored 'General case' 0 CA--C 1.502 -0.895 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 169.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 73.3 mt -97.24 132.28 42.18 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.715 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 176.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.72 4.34 8.18 Favored 'General case' 0 C--N 1.356 0.854 0 CA-C-O 116.178 -1.867 . . . . 0.0 113.695 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.0 t -173.41 155.15 2.77 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 121.57 1.986 . . . . 0.0 111.924 172.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -133.23 -179.58 5.59 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 106.625 -1.62 . . . . 0.0 106.625 172.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -149.94 102.6 3.13 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 116.523 -1.703 . . . . 0.0 109.335 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 110.83 61.41 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 O-C-N 124.762 1.289 . . . . 0.0 110.008 177.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -95.79 3.4 53.79 Favored 'General case' 0 C--N 1.357 0.928 0 CA-C-O 117.495 -1.24 . . . . 0.0 111.759 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -98.56 -50.74 4.17 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-N 120.543 1.519 . . . . 0.0 109.732 172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -71.61 -40.59 69.7 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.82 -50.4 69.06 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.03 -34.88 79.48 Favored 'General case' 0 C--N 1.352 0.678 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.921 -174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -54.04 -52.15 61.77 Favored 'General case' 0 C--N 1.351 0.659 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -73.48 -35.34 65.67 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 119.74 -0.784 . . . . 0.0 111.181 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 0.8 OUTLIER -62.31 -43.92 97.72 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 21' ' ' LEU . . . 100.17 67.47 0.0 OUTLIER 'General case' 0 C--N 1.357 0.912 0 O-C-N 123.863 0.727 . . . . 0.0 111.891 168.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.95 154.12 48.31 Favored Pre-proline 0 C--N 1.357 0.921 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.883 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -72.8 162.9 39.93 Favored 'Trans proline' 0 C--N 1.363 1.29 0 CA-C-N 122.928 2.082 . . . . 0.0 110.981 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.2 m -59.47 -45.18 92.39 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 118.229 -0.891 . . . . 0.0 113.108 -167.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -57.92 -44.39 86.83 Favored 'General case' 0 C--N 1.351 0.664 0 CA-C-N 119.612 1.096 . . . . 0.0 109.584 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.83 -39.19 90.95 Favored 'General case' 0 C--N 1.353 0.723 0 C-N-CA 119.685 -0.806 . . . . 0.0 110.185 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 46.5 mt -62.92 -51.8 67.33 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.675 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.32 -46.38 83.29 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.396 -1.288 . . . . 0.0 111.224 -173.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -71.79 -32.26 67.45 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-N 120.263 1.392 . . . . 0.0 110.808 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.91 -30.57 66.01 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 116.695 -1.622 . . . . 0.0 112.492 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.8 ptt180 -22.61 -49.76 0.02 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -155.94 48.54 0.5 Allowed 'General case' 0 C--N 1.353 0.736 0 CA-C-N 119.541 1.064 . . . . 0.0 110.319 170.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 110.97 2.93 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 101.956 -3.35 . . . . 0.0 101.956 170.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.46 163.48 27.71 Favored 'General case' 0 CA--C 1.495 -1.157 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 -165.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -143.82 139.05 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 116.82 -1.562 . . . . 0.0 109.764 -172.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 20.4 mt -97.54 141.19 16.28 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 105.561 -2.014 . . . . 0.0 105.561 169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 30.9 t -121.57 161.82 21.7 Favored 'General case' 0 C--N 1.354 0.769 0 O-C-N 123.622 0.577 . . . . 0.0 110.261 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -163.0 150.8 13.51 Favored 'General case' 0 C--N 1.352 0.679 0 CA-C-O 117.679 -1.153 . . . . 0.0 109.259 -175.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.56 148.75 20.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.763 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -136.99 151.31 48.84 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -131.41 145.88 52.01 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 117.37 -1.3 . . . . 0.0 109.504 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -100.29 -112.83 0.18 Allowed 'General case' 0 C--N 1.355 0.845 0 CA-C-O 115.932 -1.985 . . . . 0.0 105.861 171.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -80.32 -81.99 0.77 Allowed Glycine 0 C--N 1.357 1.711 0 CA-C-N 122.754 2.524 . . . . 0.0 107.201 176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -116.86 27.68 9.0 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 117.755 0.778 . . . . 0.0 109.169 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -111.38 115.35 29.13 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.2 m-30 -93.55 155.63 17.2 Favored 'General case' 0 C--N 1.353 0.725 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 91.1 m -136.69 100.9 4.46 Favored 'General case' 0 C--N 1.353 0.729 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 9.7 t-105 -103.21 152.01 21.98 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-O 117.827 -1.083 . . . . 0.0 109.337 -169.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.8 p -153.24 114.45 4.17 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-O 117.344 -1.313 . . . . 0.0 112.453 -176.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -112.27 138.29 49.19 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 172.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -136.01 112.83 10.22 Favored 'General case' 0 C--N 1.356 0.886 0 CA-C-N 120.019 1.281 . . . . 0.0 111.87 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -69.5 136.75 88.41 Favored Pre-proline 0 C--N 1.356 0.854 0 CA-C-O 115.367 -2.254 . . . . 0.0 105.246 170.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.83 -37.24 21.21 Favored 'Trans proline' 0 C--N 1.358 1.056 0 CA-C-N 124.051 2.482 . . . . 0.0 112.44 170.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.47 166.44 7.06 Favored Glycine 0 C--N 1.354 1.58 0 C-N-CA 119.843 -1.17 . . . . 0.0 110.51 176.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -49.97 -37.15 28.75 Favored Glycine 0 C--N 1.351 1.416 0 CA-C-O 118.648 -1.085 . . . . 0.0 113.41 -175.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -67.61 154.47 41.39 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.992 1.396 . . . . 0.0 112.248 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 42.5 t -153.33 156.19 37.9 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 117.641 -1.171 . . . . 0.0 108.314 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -120.38 90.13 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.752 0 N-CA-C 104.615 -2.365 . . . . 0.0 104.615 177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 56.0 m -103.27 142.58 33.95 Favored 'General case' 0 C--N 1.354 0.796 0 CA-C-O 117.617 -1.182 . . . . 0.0 108.515 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -145.39 161.35 39.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 118.967 0.803 . . . . 0.0 109.268 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.5 m -147.17 134.19 20.33 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -161.3 161.97 30.8 Favored 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 118.981 -1.088 . . . . 0.0 111.862 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.8 p -106.89 153.93 21.8 Favored 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 124.365 1.041 . . . . 0.0 109.754 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.4 mm -77.78 141.4 15.58 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.53 -159.04 38.79 Favored Glycine 0 C--N 1.355 1.633 0 N-CA-C 107.406 -2.278 . . . . 0.0 107.406 -174.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.0 tttt 55.34 -126.15 2.17 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-O 115.376 -2.25 . . . . 0.0 107.565 172.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -165.85 149.36 7.8 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-N 123.149 2.704 . . . . 0.0 110.918 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.47 ' SG ' HG23 ' A' ' 83' ' ' VAL . 19.5 p -143.1 175.8 9.59 Favored 'General case' 0 C--N 1.354 0.795 0 CA-C-N 118.913 0.778 . . . . 0.0 111.384 177.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -126.05 151.78 46.69 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.703 -1.142 . . . . 0.0 109.637 175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -127.1 152.56 35.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.908 0 CA-C-O 117.576 -1.202 . . . . 0.0 108.107 -175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -144.11 84.4 1.77 Allowed 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 172.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 m -68.77 -71.2 0.23 Allowed 'General case' 0 C--N 1.353 0.725 0 CA-C-O 117.938 -1.029 . . . . 0.0 113.701 -164.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 31.0 mm -95.47 -55.16 6.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-N 119.646 1.112 . . . . 0.0 108.272 -170.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 169.48 135.45 1.9 Allowed Glycine 0 C--N 1.353 1.514 0 CA-C-O 118.038 -1.423 . . . . 0.0 111.744 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 67.51 16.82 68.0 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 119.614 1.707 . . . . 0.0 112.682 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -136.03 66.4 1.5 Allowed 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.77 1.785 . . . . 0.0 107.06 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -68.31 143.47 55.19 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.85 166.65 20.42 Favored 'General case' 0 CA--C 1.507 -0.691 0 CA-C-O 118.277 -0.868 . . . . 0.0 109.095 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -113.47 151.07 31.93 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.873 -1.528 . . . . 0.0 106.873 166.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.31 142.75 14.64 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.612 -1.185 . . . . 0.0 110.859 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 24.6 p -103.59 86.18 2.58 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 HG23 ' SG ' ' A' ' 69' ' ' CYS . 8.7 t -52.81 140.33 8.65 Favored 'Isoleucine or valine' 0 C--N 1.353 0.719 0 C-N-CA 119.446 -0.902 . . . . 0.0 108.678 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -131.84 167.15 20.06 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.352 -1.351 . . . . 0.0 107.352 171.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.3 ttt -137.71 133.8 34.6 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 117.692 -1.147 . . . . 0.0 108.551 174.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -140.31 127.6 21.17 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 -175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 67.1 -155.66 52.47 Favored Glycine 0 C--N 1.354 1.578 0 N-CA-C 107.906 -2.078 . . . . 0.0 107.906 -171.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.86 55.25 1.62 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 108.349 -1.901 . . . . 0.0 108.349 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -151.37 121.11 7.01 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.155 -1.402 . . . . 0.0 108.983 -171.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.9 p -86.45 146.68 6.09 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 CA-C-N 120.04 1.291 . . . . 0.0 108.963 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 35.8 m -127.14 155.44 38.17 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.223 -1.028 . . . . 0.0 108.223 170.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.0 m -137.11 154.1 30.4 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.893 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 169.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -139.45 136.96 35.16 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.425 -1.274 . . . . 0.0 108.682 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.7 m -138.42 159.8 66.31 Favored Pre-proline 0 C--N 1.356 0.864 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.932 -174.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -44.19 -44.44 12.69 Favored 'Trans proline' 0 C--N 1.36 1.134 0 CA-C-N 123.102 2.144 . . . . 0.0 114.794 175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -145.85 52.7 1.16 Allowed 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.694 1.134 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 78.3 t80 -171.01 71.11 0.05 OUTLIER 'General case' 0 C--N 1.352 0.686 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -70.55 147.05 49.73 Favored 'General case' 0 CA--C 1.508 -0.662 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 79.9 t60 -151.66 150.71 30.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 117.623 -1.18 . . . . 0.0 109.815 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 5.6 p -148.97 162.43 39.91 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-O 118.29 -0.862 . . . . 0.0 109.549 177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.04 159.7 42.16 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 124.369 1.043 . . . . 0.0 109.736 171.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -152.1 150.91 30.43 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 117.055 -1.45 . . . . 0.0 109.502 -166.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mm -120.81 127.24 75.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 117.401 -1.285 . . . . 0.0 107.87 169.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 m -148.96 152.87 11.7 Favored 'Isoleucine or valine' 0 C--N 1.355 0.827 0 CA-C-O 117.744 -1.122 . . . . 0.0 108.878 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 47.93 37.6 7.79 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 119.462 1.028 . . . . 0.0 113.109 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 55.42 39.03 71.75 Favored Glycine 0 C--N 1.354 1.544 0 C-N-CA 120.02 -1.086 . . . . 0.0 112.047 -178.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -137.66 166.94 22.72 Favored 'General case' 0 CA--C 1.502 -0.898 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.8 tt -114.87 125.09 53.25 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 105.73 -1.952 . . . . 0.0 105.73 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.32 149.36 14.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.855 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -155.67 157.86 37.34 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 119.431 1.014 . . . . 0.0 111.026 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.87 165.15 16.18 Favored 'Isoleucine or valine' 0 C--N 1.355 0.806 0 CA-C-N 118.73 0.695 . . . . 0.0 110.062 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 28.7 m -142.36 146.14 34.64 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.164 -1.791 . . . . 0.0 106.164 163.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 52.3 m -152.24 154.51 35.91 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 119.666 1.121 . . . . 0.0 110.011 -171.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.6 p -143.65 60.18 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.847 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 -170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 52.99 57.32 15.03 Favored Glycine 0 C--N 1.354 1.542 0 CA-C-O 118.669 -1.073 . . . . 0.0 112.373 174.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 143.01 -64.56 0.49 Allowed Glycine 0 C--N 1.353 1.483 0 N-CA-C 110.308 -1.117 . . . . 0.0 110.308 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 88.3 t -92.38 137.31 22.48 Favored 'Isoleucine or valine' 0 C--N 1.354 0.804 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 59.8 p -111.42 166.45 11.11 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -143.21 65.57 1.33 Allowed 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -56.67 146.09 26.69 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.219 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 -154.26 159.92 41.54 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 118.643 -0.694 . . . . 0.0 109.301 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.9 m -139.21 162.85 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.816 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.519 -170.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 14.7 m -155.21 152.44 29.35 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.539 -0.864 . . . . 0.0 112.654 -171.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -97.56 165.58 11.92 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -113.36 155.14 25.73 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.287 0.992 . . . . 0.0 108.664 179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . 0.26 1.7 pt? -155.94 51.29 0.54 Allowed 'General case' 0 C--N 1.356 0.891 0 CA-C-N 119.131 0.878 . . . . 0.0 111.608 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.761 0 CA-C-O 120.731 0.301 . . . . 0.0 110.479 174.492 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.627 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -59.11 -46.02 89.39 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.564 -1.208 . . . . 0.0 111.321 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.8 t -48.81 147.99 2.4 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-N 119.929 1.24 . . . . 0.0 111.963 -175.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.33 177.88 15.18 Favored Glycine 0 C--N 1.358 1.788 0 CA-C-N 119.345 0.975 . . . . 0.0 112.017 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -95.5 152.65 18.23 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 173.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -148.04 157.41 43.5 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -130.6 161.35 31.76 Favored 'General case' 0 CA--C 1.502 -0.884 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 tt -97.73 134.78 34.6 Favored 'Isoleucine or valine' 0 C--N 1.351 0.668 0 CA-C-O 117.612 -1.185 . . . . 0.0 108.281 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -75.4 -61.05 2.04 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 103.129 -2.915 . . . . 0.0 103.129 168.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -157.98 157.55 33.22 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-O 118.48 -0.772 . . . . 0.0 110.079 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -92.22 170.94 9.41 Favored 'General case' 0 C--N 1.355 0.806 0 CA-C-O 117.671 -1.157 . . . . 0.0 107.906 174.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -154.77 136.23 14.19 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-N 119.76 1.164 . . . . 0.0 110.751 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 59.61 43.23 16.08 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 119.644 1.111 . . . . 0.0 110.744 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' CG ' ' N ' ' A' ' 15' ' ' ASP . 25.4 p90 -82.75 -44.13 15.96 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 173.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' N ' ' CG ' ' A' ' 14' ' ' TYR . 10.9 p-10 -61.99 -45.67 92.59 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 118.125 -0.94 . . . . 0.0 112.301 -169.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -71.91 -29.95 64.86 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 119.521 -0.872 . . . . 0.0 109.806 -175.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.71 -49.21 55.51 Favored 'General case' 0 C--N 1.352 0.687 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 31.2 mtt -63.71 -27.73 69.41 Favored 'General case' 0 C--N 1.35 0.618 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.086 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -50.57 73.28 Favored 'General case' 0 C--N 1.353 0.723 0 N-CA-C 105.872 -1.899 . . . . 0.0 105.872 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -61.48 -37.28 83.06 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.224 -1.369 . . . . 0.0 110.785 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.4 mt -53.19 -40.72 64.62 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.919 1.69 . . . . 0.0 107.701 174.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 92.05 59.91 0.0 OUTLIER 'General case' 0 C--N 1.356 0.89 0 O-C-N 124.709 1.256 . . . . 0.0 108.542 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -97.42 145.18 29.23 Favored Pre-proline 0 C--N 1.357 0.925 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -61.07 -76.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.358 1.031 0 CA-C-N 123.673 2.347 . . . . 0.0 115.255 -172.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.4 t -161.6 -59.39 0.05 OUTLIER 'General case' 0 C--N 1.355 0.813 0 CA-C-N 121.034 1.743 . . . . 0.0 111.246 -173.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -57.36 -39.45 76.02 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 120.41 1.459 . . . . 0.0 107.725 172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.34 -41.1 83.9 Favored 'General case' 0 C--N 1.352 0.691 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.595 177.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.93 -50.44 79.61 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 176.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -59.35 -42.44 91.54 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 117.628 -1.177 . . . . 0.0 112.52 -172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -30.44 66.27 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 120.712 1.596 . . . . 0.0 110.698 -175.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.1 -33.18 71.76 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-N 119.194 0.906 . . . . 0.0 111.047 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -55.61 150.54 12.12 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.291 0.95 . . . . 0.0 109.383 175.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.77 34.7 7.86 Favored 'General case' 0 C--N 1.355 0.814 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 175.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.23 161.22 30.72 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 118.856 -0.593 . . . . 0.0 111.847 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -126.18 62.78 1.25 Allowed 'General case' 0 C--N 1.357 0.933 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -72.21 141.12 16.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 118.518 -0.753 . . . . 0.0 109.621 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 60.7 mt -114.65 133.58 60.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.936 0 N-CA-C 103.889 -2.634 . . . . 0.0 103.889 159.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 p -101.59 111.04 23.15 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 -176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -122.93 139.15 54.36 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-N 120.655 1.571 . . . . 0.0 107.462 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.86 152.37 16.1 Favored 'Isoleucine or valine' 0 C--N 1.355 0.825 0 CA-C-O 117.829 -1.081 . . . . 0.0 108.553 -175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -126.2 147.86 49.57 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 105.742 -1.948 . . . . 0.0 105.742 169.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.27 139.7 53.11 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -141.39 -138.72 0.12 Allowed 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.484 -1.722 . . . . 0.0 109.208 -174.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.86 96.0 0.18 Allowed Glycine 0 C--N 1.355 1.618 0 CA-C-N 122.619 2.463 . . . . 0.0 109.718 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 38.83 34.84 0.1 Allowed 'General case' 0 C--N 1.359 0.98 0 CA-C-N 119.076 1.438 . . . . 0.0 112.436 -175.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -131.75 158.12 42.02 Favored 'General case' 0 CA--C 1.502 -0.887 0 N-CA-C 107.654 -1.239 . . . . 0.0 107.654 -173.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.466 ' CD1' ' CE1' ' A' ' 63' ' ' PHE . 31.7 m-85 -139.14 139.33 37.6 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.588 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 68.2 m -117.8 84.21 2.13 Favored 'General case' 0 C--N 1.352 0.681 0 N-CA-C 101.88 -3.378 . . . . 0.0 101.88 168.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -99.47 135.8 40.36 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 116.642 -1.647 . . . . 0.0 107.237 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.1 t -148.07 160.98 42.3 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-N 120.324 1.42 . . . . 0.0 111.368 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -133.23 119.75 20.24 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -85.82 71.05 10.71 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-N 119.982 1.265 . . . . 0.0 109.765 -170.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -56.54 138.38 76.2 Favored Pre-proline 0 C--N 1.35 0.629 0 CA-C-O 116.431 -1.747 . . . . 0.0 108.093 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_endo -72.96 -179.36 4.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 CA-C-N 122.609 1.968 . . . . 0.0 114.371 -169.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 75.73 13.39 83.09 Favored Glycine 0 C--N 1.356 1.651 0 CA-C-O 117.913 -1.493 . . . . 0.0 111.998 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.28 48.84 65.34 Favored Glycine 0 C--N 1.354 1.539 0 CA-C-N 120.248 2.024 . . . . 0.0 110.347 -178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -138.27 55.55 1.75 Allowed 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.4 p -54.82 143.78 24.61 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.552 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -96.64 78.33 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.352 0.684 0 N-CA-C 103.882 -2.636 . . . . 0.0 103.882 178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 43.9 m -71.0 149.39 46.69 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.127 -177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.9 m120 -147.03 72.71 1.28 Allowed 'General case' 0 C--N 1.353 0.729 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.6 m -73.45 128.68 36.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 106.069 -1.826 . . . . 0.0 106.069 177.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.466 ' CE1' ' CD1' ' A' ' 47' ' ' PHE . 20.9 p90 -150.36 159.08 44.72 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 119.886 1.221 . . . . 0.0 112.149 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 86.9 m -131.25 140.34 49.82 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 67.6 mt -69.43 145.05 13.45 Favored 'Isoleucine or valine' 0 C--N 1.354 0.779 0 CA-C-O 118.079 -0.962 . . . . 0.0 108.82 -176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.03 -58.37 2.09 Favored Glycine 0 C--N 1.357 1.711 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.75 161.86 17.15 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 118.523 1.162 . . . . 0.0 111.401 -176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -74.12 119.93 19.01 Favored 'General case' 0 C--N 1.356 0.862 0 N-CA-C 104.395 -2.446 . . . . 0.0 104.395 170.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 38.7 m -99.06 147.09 25.4 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-N 119.587 1.085 . . . . 0.0 110.763 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -82.04 145.62 30.12 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 173.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.6 mm -142.69 143.85 25.1 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 118.206 -0.902 . . . . 0.0 108.852 -177.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -123.98 177.23 5.88 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.1 m -130.75 -62.68 0.9 Allowed 'General case' 0 C--N 1.353 0.726 0 CA-C-O 116.918 -1.515 . . . . 0.0 110.396 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 6.2 tp 173.82 -46.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 CA-C-N 120.171 1.35 . . . . 0.0 109.812 175.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.31 65.74 3.77 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 51.23 35.41 34.49 Favored Glycine 0 C--N 1.353 1.517 0 CA-C-O 117.558 -1.69 . . . . 0.0 113.097 178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -90.34 157.45 17.63 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 119.456 1.628 . . . . 0.0 109.125 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -167.15 108.15 0.63 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -145.14 158.86 43.71 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-N 119.294 0.952 . . . . 0.0 108.927 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -88.51 151.32 22.6 Favored 'General case' 0 CA--C 1.506 -0.718 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.83 149.47 14.61 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.14 -0.933 . . . . 0.0 109.22 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.7 m -87.87 140.49 29.45 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.566 -1.207 . . . . 0.0 110.523 -173.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 t -102.06 143.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.356 0.871 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.1 pt20 -144.74 164.06 32.15 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 166.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.0 142.52 47.29 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 117.881 -1.057 . . . . 0.0 108.858 -171.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.13 151.07 20.83 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.788 -1.101 . . . . 0.0 110.13 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 52.9 -145.74 19.77 Favored Glycine 0 C--N 1.355 1.598 0 N-CA-C 108.961 -1.655 . . . . 0.0 108.961 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -100.05 53.68 0.94 Allowed Glycine 0 C--N 1.354 1.582 0 N-CA-C 106.969 -2.452 . . . . 0.0 106.969 169.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -144.39 164.51 30.6 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-N 117.726 0.763 . . . . 0.0 110.041 -172.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 p -119.3 143.86 29.39 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 169.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 12.9 m -132.74 114.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.357 0.932 0 CA-C-N 119.824 1.193 . . . . 0.0 109.949 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 145.58 11.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 162.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -153.05 66.63 0.79 Allowed 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 118.531 -1.268 . . . . 0.0 112.389 -175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 79.4 p -89.89 139.92 27.65 Favored Pre-proline 0 C--N 1.353 0.723 0 CA-C-O 115.701 -2.095 . . . . 0.0 105.43 167.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -46.17 -42.4 21.52 Favored 'Trans proline' 0 C--N 1.358 1.032 0 CA-C-N 123.299 2.214 . . . . 0.0 114.505 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -78.41 -64.73 1.1 Allowed 'General case' 0 C--N 1.355 0.808 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.029 -176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -96.09 79.79 3.23 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -74.92 147.56 40.84 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -159.59 155.27 25.97 Favored 'General case' 0 CA--C 1.501 -0.925 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.491 172.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 14.7 p -145.03 164.61 30.64 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 119.608 -0.837 . . . . 0.0 110.673 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.81 150.89 37.02 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 124.946 1.404 . . . . 0.0 107.491 166.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -154.83 156.47 36.26 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.108 -174.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.7 mm -102.89 146.5 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 N-CA-C 103.994 -2.595 . . . . 0.0 103.994 170.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.6 p -147.26 131.31 9.77 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.906 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 52.73 -88.74 0.02 OUTLIER 'General case' 0 C--N 1.359 0.985 0 CA-C-N 119.378 0.99 . . . . 0.0 109.932 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -153.62 47.61 0.54 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 175.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -146.44 165.25 29.95 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 -173.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 21.7 tp -110.96 143.52 41.5 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.603 -1.628 . . . . 0.0 106.603 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 22.0 t -143.81 148.31 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.653 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.83 159.47 36.72 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.838 1.199 . . . . 0.0 111.483 -178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 m -146.95 161.96 8.63 Favored 'Isoleucine or valine' 0 C--N 1.357 0.921 0 CA-C-O 118.268 -0.872 . . . . 0.0 111.154 -178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.8 t -129.02 144.64 51.25 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 106.529 -1.656 . . . . 0.0 106.529 164.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.2 m -142.97 150.39 39.63 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.316 1.416 . . . . 0.0 110.606 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.0 p -134.96 61.49 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.93 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 -174.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 71.44 -84.98 0.43 Allowed Glycine 0 C--N 1.354 1.576 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -177.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -82.45 -57.31 2.63 Favored Glycine 0 C--N 1.353 1.503 0 CA-C-O 118.803 -0.998 . . . . 0.0 112.405 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 89.9 t -86.66 147.93 5.01 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 118.335 1.068 . . . . 0.0 109.364 -169.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 77.2 p -119.06 164.59 15.3 Favored 'General case' 0 C--N 1.358 0.968 0 O-C-N 124.174 0.921 . . . . 0.0 109.756 177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -136.53 76.87 1.62 Allowed 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -78.42 152.41 32.21 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 119.056 -1.058 . . . . 0.0 109.728 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -143.13 157.19 44.74 Favored 'General case' 0 C--N 1.352 0.675 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 171.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.0 m -132.0 152.98 37.73 Favored 'Isoleucine or valine' 0 C--N 1.354 0.78 0 CA-C-O 118.061 -0.971 . . . . 0.0 108.631 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 51.5 m -155.53 165.67 35.87 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-N 118.845 0.748 . . . . 0.0 111.353 -170.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 167.52 17.17 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-O 117.822 -1.085 . . . . 0.0 110.04 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -103.84 134.79 46.55 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.794 -1.098 . . . . 0.0 111.877 -176.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 4.9 tt -86.91 -57.53 2.94 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 105.896 -1.89 . . . . 0.0 105.896 170.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 126' ' ' LEU . . . . . . . . 0 C--N 1.358 0.964 0 O-C-N 124.585 1.178 . . . . 0.0 108.163 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.596 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.31 -63.75 1.05 Allowed 'General case' 0 C--N 1.355 0.83 0 N-CA-C 103.551 -2.759 . . . . 0.0 103.551 175.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.7 p 39.63 68.42 0.38 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.868 0.73 . . . . 0.0 112.48 166.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.04 -172.03 39.63 Favored Glycine 0 C--N 1.354 1.545 0 C-N-CA 118.654 -1.736 . . . . 0.0 114.333 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -123.38 156.18 35.91 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.273 -1.346 . . . . 0.0 107.504 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -147.1 131.85 17.94 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-O 117.336 -1.316 . . . . 0.0 109.61 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -97.77 142.06 30.01 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.446 -1.687 . . . . 0.0 106.446 176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.8 tt -62.06 144.41 14.17 Favored 'Isoleucine or valine' 0 C--N 1.351 0.653 0 CA-C-N 119.223 0.92 . . . . 0.0 109.422 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -95.05 -59.48 1.89 Allowed 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -174.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.9 t -176.14 71.95 0.02 OUTLIER 'General case' 0 C--N 1.355 0.816 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.91 164.23 10.65 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 119.064 -1.054 . . . . 0.0 111.952 -175.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -136.54 166.72 22.85 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 171.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 57.51 25.4 11.44 Favored 'General case' 0 C--N 1.351 0.67 0 CA-C-O 117.509 -1.234 . . . . 0.0 113.665 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 14' ' ' TYR . 0.6 OUTLIER -69.21 -43.28 74.44 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 171.582 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.56 -50.53 71.61 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-O 118.532 -0.746 . . . . 0.0 110.446 -178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.8 -40.08 83.94 Favored 'General case' 0 C--N 1.35 0.629 0 C-N-CA 119.784 -0.766 . . . . 0.0 109.836 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -66.59 -48.71 68.72 Favored 'General case' 0 CA--C 1.508 -0.642 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.832 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 48.6 ttm -68.73 -36.74 78.8 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.499 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.63 -37.77 71.19 Favored 'General case' 0 CA--C 1.508 -0.667 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttt85 -63.37 -41.55 98.82 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.233 -178.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 mp -59.92 -44.98 93.98 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . 0.346 . . 108.87 -92.86 0.0 OUTLIER 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.32 156.73 0.1 OUTLIER Pre-proline 0 C--N 1.354 0.774 0 CA-C-O 117.362 -1.304 . . . . 0.0 110.702 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -63.28 165.7 16.66 Favored 'Trans proline' 0 C--N 1.36 1.161 0 CA-C-N 124.283 2.565 . . . . 0.0 110.733 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 61.9 p -66.23 -33.76 76.47 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.644 -177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -48.84 -50.86 32.63 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 119.298 0.954 . . . . 0.0 108.697 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.53 64.79 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-N 118.806 0.73 . . . . 0.0 111.211 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.67 -48.28 88.92 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -64.3 -35.78 81.97 Favored 'General case' 0 C--N 1.351 0.655 0 CA-C-O 118.221 -0.895 . . . . 0.0 112.576 179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -70.2 -41.78 73.23 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.297 1.408 . . . . 0.0 108.97 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -60.99 151.48 30.41 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-O 117.645 -1.169 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 82.16 -51.85 0.22 Allowed 'General case' 0 C--N 1.354 0.795 0 CA-C-O 118.469 -0.777 . . . . 0.0 110.782 -179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.41 153.99 40.2 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.338 0.972 . . . . 0.0 109.387 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -126.01 110.74 13.92 Favored 'General case' 0 C--N 1.357 0.893 0 N-CA-C 103.822 -2.659 . . . . 0.0 103.822 -174.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.2 mt -69.46 141.35 17.39 Favored 'Isoleucine or valine' 0 C--N 1.351 0.632 0 CA-C-N 120.503 1.501 . . . . 0.0 107.525 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -102.59 101.79 12.66 Favored 'Isoleucine or valine' 0 C--N 1.355 0.842 0 N-CA-C 102.613 -3.106 . . . . 0.0 102.613 170.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 46.8 t -74.97 157.12 35.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 -174.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -160.64 141.36 11.68 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 117.523 -1.227 . . . . 0.0 109.119 -175.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.2 m -145.41 164.48 11.53 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.783 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -157.21 131.39 8.38 Favored 'General case' 0 CA--C 1.507 -0.678 0 CA-C-O 117.651 -1.166 . . . . 0.0 108.679 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -81.4 150.31 28.44 Favored 'General case' 0 CA--C 1.507 -0.705 0 CA-C-N 119.442 1.019 . . . . 0.0 109.375 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.1 55.96 1.81 Allowed 'General case' 0 C--N 1.353 0.746 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.56 73.44 1.06 Allowed Glycine 0 C--N 1.356 1.665 0 N-CA-C 108.429 -1.868 . . . . 0.0 108.429 -179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 50.47 51.76 16.19 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.89 104.32 1.92 Allowed 'General case' 0 C--N 1.351 0.67 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -87.82 99.9 12.46 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -168.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.9 m -70.64 94.34 1.0 Allowed 'General case' 0 C--N 1.354 0.778 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 171.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -90.49 154.43 19.64 Favored 'General case' 0 C--N 1.353 0.721 0 CA-C-O 117.785 -1.102 . . . . 0.0 109.432 -176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.2 m -151.6 157.85 42.73 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.022 0.828 . . . . 0.0 112.506 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -134.72 87.77 2.38 Favored 'General case' 0 C--N 1.356 0.858 0 N-CA-C 105.847 -1.909 . . . . 0.0 105.847 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -82.78 98.98 9.4 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 119.998 -0.681 . . . . 0.0 110.356 -168.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.21 143.52 97.65 Favored Pre-proline 0 C--N 1.354 0.767 0 CA-C-O 115.901 -1.999 . . . . 0.0 106.048 169.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.85 -39.69 39.39 Favored 'Trans proline' 0 C--N 1.358 1.055 0 CA-C-N 123.542 2.301 . . . . 0.0 115.948 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -70.23 -172.44 10.82 Favored Glycine 0 C--N 1.354 1.531 0 C-N-CA 120.031 -1.081 . . . . 0.0 112.481 -173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -53.06 -33.56 44.87 Favored Glycine 0 C--N 1.354 1.537 0 CA-C-O 118.498 -1.168 . . . . 0.0 111.057 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -55.54 150.31 12.3 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.78 1.29 . . . . 0.0 109.901 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.2 p -170.11 93.78 0.23 Allowed 'General case' 0 C--N 1.35 0.622 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.5 146.73 11.39 Favored 'Isoleucine or valine' 0 C--N 1.353 0.72 0 C-N-CA 119.272 -0.971 . . . . 0.0 108.671 -172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -123.63 142.03 51.44 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -135.26 73.65 1.48 Allowed 'General case' 0 C--N 1.354 0.779 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.8 m -63.68 129.11 38.8 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 117.633 -1.175 . . . . 0.0 108.377 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -148.34 166.91 26.62 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-N 119.196 0.907 . . . . 0.0 109.429 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 50.8 m -126.09 145.23 50.43 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.952 -1.023 . . . . 0.0 111.414 -171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 24.5 mm -73.96 98.03 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.901 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.477 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.58 -58.54 0.52 Allowed Glycine 0 C--N 1.358 1.757 0 CA-C-N 119.53 1.059 . . . . 0.0 112.87 170.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 54.4 pttt -69.01 164.54 22.13 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-N 117.621 0.71 . . . . 0.0 111.472 -170.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -72.35 99.1 2.35 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 104.426 -2.435 . . . . 0.0 104.426 171.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.9 m -79.89 156.3 27.37 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.861 -171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -105.13 139.77 39.31 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 38.6 mt -132.22 154.32 39.88 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -159.53 176.91 11.49 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 119.899 -0.721 . . . . 0.0 111.355 -168.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . 0.33 15.2 t 56.98 -175.26 0.06 Allowed 'General case' 0 C--N 1.354 0.771 0 O-C-N 124.804 1.315 . . . . 0.0 109.977 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 27.8 mm 65.14 -78.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.35 0.619 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -169.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.73 -29.06 59.96 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-O 118.07 -1.406 . . . . 0.0 111.542 175.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.3 -64.77 0.8 Allowed Glycine 0 C--N 1.355 1.626 0 N-CA-C 106.735 -2.546 . . . . 0.0 106.735 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -57.05 120.97 8.92 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-O 117.56 -1.21 . . . . 0.0 107.926 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -67.61 159.54 29.71 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 120.0 1.273 . . . . 0.0 109.664 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -132.68 157.34 45.1 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 118.274 -0.869 . . . . 0.0 109.709 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.8 ptpp? -88.7 165.48 14.72 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 165.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.21 159.1 35.71 Favored 'General case' 0 CA--C 1.504 -0.808 0 CA-C-O 117.557 -1.211 . . . . 0.0 109.325 174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.4 m -123.49 88.21 2.88 Favored 'General case' 0 CA--C 1.504 -0.817 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 97.5 t -69.43 139.91 19.59 Favored 'Isoleucine or valine' 0 C--N 1.351 0.637 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.78 148.4 8.87 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.88 -1.057 . . . . 0.0 109.531 169.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 75.7 mtp -92.68 156.32 17.14 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 118.92 0.782 . . . . 0.0 109.374 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -154.72 55.79 0.68 Allowed 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 133.63 -150.59 19.94 Favored Glycine 0 C--N 1.355 1.615 0 N-CA-C 107.392 -2.283 . . . . 0.0 107.392 -176.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.96 56.3 3.68 Favored Glycine 0 C--N 1.354 1.556 0 N-CA-C 107.875 -2.09 . . . . 0.0 107.875 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -165.15 160.87 19.1 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-O 116.943 -1.503 . . . . 0.0 110.319 -174.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.2 p -114.28 134.5 57.0 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 O-C-N 124.489 1.118 . . . . 0.0 109.519 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 20.3 t -107.0 141.7 21.57 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 170.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . 0.291 0.5 OUTLIER -139.71 76.22 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.787 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 -176.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -79.49 164.11 24.18 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.294 -171.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.2 t -162.57 150.8 12.01 Favored Pre-proline 0 C--N 1.352 0.713 0 CA-C-O 115.623 -2.132 . . . . 0.0 108.88 -172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.23 -27.19 48.72 Favored 'Trans proline' 0 C--N 1.359 1.09 0 CA-C-N 124.205 2.537 . . . . 0.0 113.638 -175.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -139.01 40.91 2.13 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-N 121.306 1.866 . . . . 0.0 111.217 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 45.7 t80 -176.06 62.82 0.02 OUTLIER 'General case' 0 C--N 1.354 0.787 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.6 t60 -64.3 131.32 46.97 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 -175.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -132.73 154.9 49.75 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 54.2 m -165.43 151.4 9.61 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-N 119.271 0.941 . . . . 0.0 109.446 -170.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -155.85 161.15 40.65 Favored 'General case' 0 CA--C 1.5 -0.969 0 C-N-CA 119.193 -1.003 . . . . 0.0 111.266 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -157.28 114.94 3.11 Favored 'General case' 0 C--N 1.35 0.626 0 CA-C-O 117.683 -1.151 . . . . 0.0 109.809 -166.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.5 mm -83.27 140.87 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 170.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.3 p -157.3 141.33 7.49 Favored 'Isoleucine or valine' 0 C--N 1.349 0.546 0 CA-C-O 117.59 -1.195 . . . . 0.0 109.075 175.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 37.04 47.19 0.59 Allowed 'General case' 0 C--N 1.355 0.826 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 59.22 47.08 92.54 Favored Glycine 0 C--N 1.354 1.549 0 C-N-CA 120.065 -1.064 . . . . 0.0 111.727 176.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -157.94 137.7 12.18 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 116.22 -1.848 . . . . 0.0 107.604 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 44.8 tp -98.18 118.66 35.3 Favored 'General case' 0 C--N 1.357 0.935 0 CA-C-N 120.809 1.64 . . . . 0.0 108.112 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 78.2 t -99.43 147.25 7.4 Favored 'Isoleucine or valine' 0 C--N 1.352 0.717 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -139.74 130.36 25.78 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.77 -1.586 . . . . 0.0 107.761 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 47.3 t -131.58 147.88 32.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.897 0 CA-C-N 119.827 1.194 . . . . 0.0 108.754 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 m -143.95 154.87 43.76 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 116.82 -1.562 . . . . 0.0 107.828 173.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.7 m -145.79 145.83 30.95 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.871 1.214 . . . . 0.0 110.157 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.0 m -147.0 51.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.818 0 O-C-N 123.692 0.62 . . . . 0.0 109.937 -168.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 101.09 -78.13 0.4 Allowed Glycine 0 C--N 1.354 1.532 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -136.52 25.67 3.11 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 117.61 -1.661 . . . . 0.0 113.645 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 66.8 t -141.99 93.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.829 0 CA-C-N 119.721 1.761 . . . . 0.0 106.248 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.6 t -70.41 158.5 35.89 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 173.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -133.37 63.41 1.63 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -64.73 131.52 47.08 Favored 'General case' 0 CA--C 1.507 -0.689 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 -151.81 157.81 42.43 Favored 'General case' 0 CA--C 1.508 -0.671 0 CA-C-N 118.57 0.623 . . . . 0.0 109.81 171.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 89.3 t -118.68 152.71 20.89 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -174.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 36.2 p -138.46 129.53 27.01 Favored 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -78.85 126.27 30.48 Favored 'General case' 0 C--N 1.356 0.88 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -169.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -77.95 112.18 14.58 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 23.3 mt -85.35 -51.5 6.52 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-N 119.639 1.109 . . . . 0.0 109.894 -178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.782 0 CA-C-N 119.627 1.103 . . . . 0.0 111.137 -178.676 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.578 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -66.51 -56.28 11.58 Favored 'General case' 0 C--N 1.353 0.735 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 m 46.02 73.02 0.19 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 167.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.98 177.37 48.25 Favored Glycine 0 C--N 1.353 1.49 0 C-N-CA 119.45 -1.357 . . . . 0.0 112.912 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -101.06 159.19 15.43 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 172.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -149.62 114.29 5.31 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.94 -178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -83.65 124.38 30.77 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 119.97 1.259 . . . . 0.0 109.636 -177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.1 tt -69.16 142.36 16.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 119.482 1.037 . . . . 0.0 108.986 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -102.67 -57.15 2.1 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.027 175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.4 t -123.92 152.85 41.98 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -138.93 61.56 1.57 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 -174.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -77.31 151.36 35.03 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.023 -168.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 t30 55.85 49.05 16.81 Favored 'General case' 0 C--N 1.357 0.913 0 CA-C-N 118.631 0.651 . . . . 0.0 110.112 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -94.53 -38.46 10.88 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 117.443 -1.265 . . . . 0.0 108.883 172.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -56.49 -52.72 63.67 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 121.259 1.845 . . . . 0.0 112.472 -176.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -66.39 -43.7 85.1 Favored 'General case' 0 C--N 1.352 0.71 0 C-N-CA 119.07 -1.052 . . . . 0.0 108.439 -173.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -63.93 -46.41 84.89 Favored 'General case' 0 CA--C 1.508 -0.673 0 C-N-CA 119.87 -0.732 . . . . 0.0 109.269 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 34.9 tpp -69.12 -28.28 66.33 Favored 'General case' 0 C--N 1.348 0.525 0 CA-C-O 117.88 -1.057 . . . . 0.0 110.003 -176.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -68.33 -35.38 77.69 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.023 1.283 . . . . 0.0 110.226 173.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -56.55 -50.5 71.71 Favored 'General case' 0 C--N 1.354 0.789 0 CA-C-N 120.658 1.572 . . . . 0.0 107.976 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mp -58.86 -37.42 76.48 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 76.06 57.31 0.05 Allowed 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.5 150.78 47.18 Favored Pre-proline 0 C--N 1.353 0.761 0 N-CA-C 105.103 -2.184 . . . . 0.0 105.103 172.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -66.21 171.96 9.51 Favored 'Trans proline' 0 C--N 1.358 1.077 0 CA-C-N 123.919 2.435 . . . . 0.0 112.223 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.0 t -57.93 -46.75 84.55 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 118.598 -0.715 . . . . 0.0 110.941 -172.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -56.67 -48.55 77.36 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 119.135 -1.026 . . . . 0.0 109.327 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.93 -44.05 77.98 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-N 118.781 0.719 . . . . 0.0 110.088 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.99 -48.12 87.66 Favored 'Isoleucine or valine' 0 C--N 1.352 0.707 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -61.29 -35.66 77.93 Favored 'General case' 0 C--N 1.351 0.642 0 CA-C-O 118.022 -0.99 . . . . 0.0 111.77 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -61.57 -43.36 99.0 Favored 'General case' 0 C--N 1.352 0.71 0 CA-C-N 120.373 1.442 . . . . 0.0 108.515 -179.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.61 -42.08 78.16 Favored 'General case' 0 C--N 1.353 0.722 0 C-N-CA 119.7 -0.8 . . . . 0.0 109.392 175.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.27 -66.98 0.45 Allowed 'General case' 0 C--N 1.353 0.728 0 C-N-CA 120.189 -0.604 . . . . 0.0 110.252 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -80.25 -35.19 36.36 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-O 117.198 -1.382 . . . . 0.0 113.632 -164.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.4 mt -69.49 161.75 28.86 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 121.017 1.735 . . . . 0.0 108.919 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -109.0 93.26 4.42 Favored 'General case' 0 C--N 1.357 0.908 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -172.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -63.3 132.4 29.13 Favored 'Isoleucine or valine' 0 C--N 1.351 0.658 0 C-N-CA 118.991 -1.084 . . . . 0.0 109.427 -169.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 32.3 mm -102.19 98.86 7.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 N-CA-C 103.984 -2.599 . . . . 0.0 103.984 171.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.9 t -72.82 153.33 41.12 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -154.31 144.46 21.98 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.022 -175.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 41.6 t -143.38 143.61 24.41 Favored 'Isoleucine or valine' 0 C--N 1.354 0.802 0 CA-C-O 117.002 -1.475 . . . . 0.0 108.091 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -133.09 123.13 25.17 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -83.84 144.6 29.15 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -133.85 61.18 1.68 Allowed 'General case' 0 C--N 1.352 0.701 0 CA-C-N 119.192 0.906 . . . . 0.0 109.813 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.62 80.69 0.15 Allowed Glycine 0 C--N 1.355 1.635 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 52.36 57.89 5.97 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.533 1.166 . . . . 0.0 108.098 -175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -166.66 147.25 6.0 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 170.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -133.97 92.08 2.91 Favored 'General case' 0 CA--C 1.506 -0.72 0 N-CA-C 107.437 -1.319 . . . . 0.0 107.437 -173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 98.4 m -73.6 93.05 1.99 Allowed 'General case' 0 C--N 1.352 0.689 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 16.8 t-105 -90.32 155.86 18.67 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 117.806 -1.092 . . . . 0.0 108.84 -175.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.6 t -154.52 152.74 30.44 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 119.338 -0.945 . . . . 0.0 113.232 175.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -127.54 96.86 4.67 Favored 'General case' 0 C--N 1.356 0.872 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 175.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -97.43 118.78 34.68 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 117.318 -1.325 . . . . 0.0 108.674 -167.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 55' ' ' GLY . 0.6 OUTLIER -94.55 122.37 61.1 Favored Pre-proline 0 C--N 1.355 0.834 0 CA-C-O 114.504 -2.665 . . . . 0.0 104.255 -178.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_exo -36.44 89.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 CA-C-N 123.937 2.442 . . . . 0.0 116.063 177.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 77.64 150.15 4.09 Favored Glycine 0 C--N 1.354 1.569 0 CA-C-O 118.827 -0.985 . . . . 0.0 111.044 179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.3 -85.27 1.56 Allowed Glycine 0 C--N 1.355 1.598 0 CA-C-O 118.591 -1.116 . . . . 0.0 112.522 173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -104.73 79.72 1.57 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 118.33 1.065 . . . . 0.0 110.536 -169.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.8 p -90.1 118.93 30.01 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 117.381 -1.295 . . . . 0.0 108.367 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.6 mp -108.18 149.32 11.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 CA-C-N 119.69 1.132 . . . . 0.0 108.272 -178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 59.5 m -125.89 151.94 46.22 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 170.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -143.55 73.96 1.41 Allowed 'General case' 0 C--N 1.355 0.823 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.4 m -64.92 131.93 48.0 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.772 -1.108 . . . . 0.0 108.679 -178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -150.78 166.38 30.65 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 119.186 0.903 . . . . 0.0 109.592 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.3 m -136.86 151.38 49.04 Favored 'General case' 0 C--N 1.353 0.757 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.969 -173.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.7 mm -77.59 138.36 20.55 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 119.607 1.094 . . . . 0.0 111.119 -173.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 69.08 8.49 58.52 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 116.674 -2.181 . . . . 0.0 116.151 169.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -92.88 -54.71 3.64 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 121.027 2.414 . . . . 0.0 109.821 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 121.2 84.5 0.0 OUTLIER 'General case' 0 C--N 1.356 0.854 0 N-CA-C 103.565 -2.754 . . . . 0.0 103.565 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 53.9 t -83.57 150.08 26.17 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -101.44 129.13 47.41 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 104.488 -2.412 . . . . 0.0 104.488 167.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.7 mt -121.81 150.19 25.12 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.754 0 CA-C-N 119.982 1.265 . . . . 0.0 109.442 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -131.04 127.87 39.15 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 167.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.0 m -90.32 77.5 6.61 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-N 120.007 1.276 . . . . 0.0 108.417 -172.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . 0.251 0.0 OUTLIER 44.92 87.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.88 0 O-C-N 123.908 0.755 . . . . 0.0 111.951 176.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 69.83 56.57 8.07 Favored Glycine 0 C--N 1.354 1.573 0 C-N-CA 119.625 -1.274 . . . . 0.0 110.444 172.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -149.14 -169.39 15.67 Favored Glycine 0 C--N 1.351 1.382 0 N-CA-C 109.176 -1.569 . . . . 0.0 109.176 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -68.17 164.63 19.99 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 173.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -144.04 159.65 42.23 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 118.13 -0.938 . . . . 0.0 109.341 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -88.82 159.27 17.81 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 105.431 -2.063 . . . . 0.0 105.431 164.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -149.87 85.18 1.41 Allowed 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 22.0 m -67.19 81.9 0.13 Allowed 'General case' 0 C--N 1.354 0.786 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.2 t -63.52 143.95 15.11 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.844 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -157.6 114.65 2.98 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.56 -1.209 . . . . 0.0 109.957 -171.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.81 154.6 38.24 Favored 'General case' 0 C--N 1.357 0.911 0 CA-C-N 120.685 1.584 . . . . 0.0 109.262 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -145.82 67.02 1.2 Allowed 'General case' 0 C--N 1.354 0.776 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 76.96 56.82 3.93 Favored Glycine 0 C--N 1.353 1.514 0 N-CA-C 108.763 -1.735 . . . . 0.0 108.763 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 92.58 -59.25 2.56 Favored Glycine 0 C--N 1.354 1.566 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -65.15 151.82 45.13 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-N 118.773 1.287 . . . . 0.0 109.511 -174.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.0 p -98.24 146.45 8.03 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-O 117.473 -1.251 . . . . 0.0 107.913 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 43.2 t -130.32 101.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.86 147.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 104.023 -2.584 . . . . 0.0 104.023 166.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -149.88 132.14 15.5 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.138 -1.025 . . . . 0.0 109.619 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.8 m -144.86 160.64 46.22 Favored Pre-proline 0 C--N 1.358 0.955 0 CA-C-O 116.043 -1.932 . . . . 0.0 108.236 -174.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.74 -22.46 49.86 Favored 'Trans proline' 0 C--N 1.357 1.008 0 CA-C-N 123.605 2.323 . . . . 0.0 112.161 175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -147.39 54.98 1.08 Allowed 'General case' 0 C--N 1.357 0.895 0 CA-C-N 120.59 1.541 . . . . 0.0 109.933 -178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.532 ' O ' ' CG ' ' A' ' 97' ' ' TYR . 20.2 t80 167.08 67.15 0.0 OUTLIER 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.861 -1.163 . . . . 0.0 107.861 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -85.18 145.7 27.47 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -151.01 149.3 29.4 Favored 'General case' 0 CA--C 1.506 -0.729 0 CA-C-O 117.737 -1.125 . . . . 0.0 109.928 177.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.0 p -145.97 157.31 43.88 Favored 'General case' 0 CA--C 1.502 -0.886 0 CA-C-N 119.861 1.209 . . . . 0.0 108.743 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -145.03 153.17 41.19 Favored 'General case' 0 CA--C 1.505 -0.757 0 O-C-N 124.274 0.984 . . . . 0.0 109.029 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.423 ' C ' HD12 ' A' ' 103' ' ' ILE . 25.8 tt0 -154.04 131.32 11.18 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 116.871 -1.538 . . . . 0.0 108.231 -163.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.423 HD12 ' C ' ' A' ' 102' ' ' GLU . 1.6 mp -111.84 146.31 16.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 -177.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.2 t -141.57 110.15 2.54 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 3.0 p30 50.03 42.01 24.12 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 120.95 1.705 . . . . 0.0 112.071 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.82 -12.32 17.2 Favored Glycine 0 C--N 1.356 1.654 0 CA-C-O 117.657 -1.635 . . . . 0.0 114.221 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.93 130.01 34.67 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.518 2.159 . . . . 0.0 105.207 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 9.8 tt -104.94 144.52 31.68 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.919 1.236 . . . . 0.0 107.688 -168.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.6 p -154.56 145.49 13.7 Favored 'Isoleucine or valine' 0 C--N 1.353 0.732 0 CA-C-O 117.49 -1.243 . . . . 0.0 109.445 -175.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -150.65 171.15 17.59 Favored 'General case' 0 C--N 1.357 0.916 0 CA-C-N 119.244 0.929 . . . . 0.0 112.537 -168.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 p -154.74 150.01 12.02 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.645 171.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.7 m -134.53 165.54 24.96 Favored 'General case' 0 CA--C 1.501 -0.937 0 CA-C-N 118.508 0.595 . . . . 0.0 110.228 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 1.1 m -153.81 147.07 24.75 Favored 'General case' 0 CA--C 1.507 -0.677 0 CA-C-O 117.644 -1.17 . . . . 0.0 108.766 -174.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 9.8 p -148.02 56.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.355 0.845 0 C-N-CA 119.797 -0.761 . . . . 0.0 110.581 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 44.62 50.4 8.38 Favored Glycine 0 C--N 1.355 1.638 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.017 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . 176.24 -58.2 0.11 Allowed Glycine 0 C--N 1.35 1.341 0 C-N-CA 119.622 -1.275 . . . . 0.0 110.499 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 32.5 m -141.02 159.03 23.28 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.149 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.3 t -103.09 166.3 10.52 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 124.006 0.816 . . . . 0.0 109.257 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -140.76 90.56 2.35 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 123.775 0.672 . . . . 0.0 109.61 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.2 tp10 -71.31 142.5 50.45 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.116 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -139.59 153.55 47.4 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 11.1 p -152.86 144.34 15.19 Favored 'Isoleucine or valine' 0 C--N 1.354 0.764 0 CA-C-N 119.89 1.223 . . . . 0.0 111.717 -173.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -156.34 169.84 23.66 Favored 'General case' 0 C--N 1.358 0.95 0 CA-C-N 119.217 0.917 . . . . 0.0 111.212 -169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.59 153.55 42.66 Favored 'General case' 0 CA--C 1.507 -0.678 0 C-N-CA 120.171 -0.611 . . . . 0.0 112.455 179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.26 133.34 52.59 Favored 'General case' 0 C--N 1.355 0.805 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.41 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 21.0 tp -113.18 -63.36 1.46 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 0.813 0 CA-C-N 118.62 0.646 . . . . 0.0 111.032 177.364 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.539 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' THR . 74.3 m-85 74.61 -72.03 0.12 Allowed 'General case' 0 C--N 1.352 0.712 0 CA-C-O 116.993 -1.479 . . . . 0.0 111.019 176.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' PHE . 6.9 t -35.26 132.46 0.38 Allowed 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.096 1.317 . . . . 0.0 113.223 -173.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.66 171.54 15.31 Favored Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.623 -1.098 . . . . 0.0 111.143 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -98.07 151.28 20.52 Favored 'General case' 0 C--N 1.358 0.935 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.491 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -151.44 156.81 41.4 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 117.608 -1.187 . . . . 0.0 110.318 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -130.82 154.62 47.84 Favored 'General case' 0 C--N 1.355 0.835 0 O-C-N 123.876 0.735 . . . . 0.0 110.936 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 95.8 mt -84.27 98.1 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 103.564 -2.754 . . . . 0.0 103.564 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -58.77 -40.91 85.31 Favored 'General case' 0 C--N 1.354 0.772 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -155.25 160.49 40.86 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.897 0.771 . . . . 0.0 111.032 -175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -175.96 138.85 0.37 Allowed 'General case' 0 C--N 1.353 0.743 0 CA-C-O 115.77 -2.062 . . . . 0.0 108.129 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -140.33 51.01 1.68 Allowed 'General case' 0 C--N 1.358 0.955 0 CA-C-N 121.43 1.923 . . . . 0.0 111.979 -174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -152.34 35.68 0.52 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -84.07 -34.53 24.18 Favored 'General case' 0 C--N 1.356 0.867 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 -178.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' N ' ' CD1' ' A' ' 14' ' ' TYR . 13.2 p-10 -67.78 -44.57 77.1 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 119.19 0.904 . . . . 0.0 109.859 -176.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -65.7 -34.18 77.61 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -63.43 -46.03 88.22 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.16 -41.75 99.3 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.965 -1.017 . . . . 0.0 111.159 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 tppm? -56.41 -41.36 76.19 Favored 'General case' 0 C--N 1.351 0.654 0 CA-C-N 119.704 1.138 . . . . 0.0 109.088 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -49.09 74.52 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.4 mt -56.9 -29.32 62.91 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.059 177.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 68.89 55.72 0.44 Allowed 'General case' 0 C--N 1.354 0.785 0 CA-C-N 118.492 0.587 . . . . 0.0 110.451 175.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.5 mt -92.12 147.36 34.56 Favored Pre-proline 0 C--N 1.355 0.83 0 N-CA-C 104.778 -2.305 . . . . 0.0 104.778 169.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.46 163.64 33.95 Favored 'Trans proline' 0 C--N 1.356 0.966 0 CA-C-N 124.028 2.474 . . . . 0.0 111.54 -173.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.8 m -57.5 -39.21 75.98 Favored 'General case' 0 CA--C 1.506 -0.72 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.527 -171.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -51.58 -49.83 61.35 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 119.486 -0.885 . . . . 0.0 108.903 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.66 81.23 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 119.858 -0.737 . . . . 0.0 111.457 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 50.8 mt -68.22 -49.5 66.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.664 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -57.69 -30.81 65.78 Favored 'General case' 0 C--N 1.352 0.712 0 C-N-CA 119.026 -1.07 . . . . 0.0 110.954 -175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -66.53 -47.57 72.49 Favored 'General case' 0 C--N 1.355 0.814 0 CA-C-N 120.048 1.295 . . . . 0.0 108.857 174.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.74 5.43 21.39 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 117.366 -1.302 . . . . 0.0 114.001 -177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -78.51 150.06 32.99 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.77 1.623 . . . . 0.0 106.712 171.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 55.65 58.43 4.52 Favored 'General case' 0 C--N 1.357 0.917 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 -174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.7 tp -147.47 142.38 26.9 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -133.93 177.44 7.73 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.173 -2.158 . . . . 0.0 105.173 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.9 mt -133.05 142.44 42.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.645 0 CA-C-O 117.672 -1.156 . . . . 0.0 108.083 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 56.5 mt -95.17 114.27 31.38 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 91.4 p -93.53 124.28 37.42 Favored 'General case' 0 CA--C 1.504 -0.791 0 N-CA-C 105.662 -1.977 . . . . 0.0 105.662 -175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -124.34 116.26 22.33 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 106.09 -1.818 . . . . 0.0 106.09 -175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.1 p -108.51 138.41 35.48 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 -175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -126.68 100.28 6.14 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -66.24 151.21 47.5 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 107.356 -1.349 . . . . 0.0 107.356 174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -144.11 72.06 1.34 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.57 -105.98 2.88 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 106.32 -2.712 . . . . 0.0 106.32 -175.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -123.26 40.09 3.8 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.632 1.716 . . . . 0.0 108.588 169.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -123.65 153.74 40.34 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -135.79 102.76 5.17 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 119.094 0.861 . . . . 0.0 108.929 -172.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -78.57 91.53 4.6 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 103.307 -2.849 . . . . 0.0 103.307 169.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -92.38 90.06 7.07 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 -174.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.8 m -74.6 148.45 40.75 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 119.255 -0.978 . . . . 0.0 110.09 -176.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -128.3 85.33 2.33 Favored 'General case' 0 CA--C 1.503 -0.865 0 N-CA-C 103.517 -2.772 . . . . 0.0 103.517 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -91.26 95.08 9.84 Favored 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 124.454 1.096 . . . . 0.0 110.387 -159.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -57.32 147.49 57.95 Favored Pre-proline 0 C--N 1.353 0.75 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.858 171.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -69.67 174.36 9.54 Favored 'Trans proline' 0 C--N 1.356 0.939 0 CA-C-N 122.329 1.867 . . . . 0.0 108.526 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.25 -55.96 1.5 Allowed Glycine 0 C--N 1.352 1.455 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 159.86 -50.51 0.38 Allowed Glycine 0 C--N 1.355 1.591 0 CA-C-N 118.34 1.07 . . . . 0.0 111.576 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -59.46 154.14 17.79 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-N 117.66 0.73 . . . . 0.0 111.692 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.3 p -136.16 154.75 50.87 Favored 'General case' 0 C--N 1.355 0.846 0 CA-C-O 116.997 -1.477 . . . . 0.0 108.898 173.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -115.46 64.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 176.26 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.4 t -59.96 159.38 9.34 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 118.569 -1.252 . . . . 0.0 110.741 -175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -125.74 74.51 1.42 Allowed 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 103.512 -2.773 . . . . 0.0 103.512 176.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 57.8 m -62.39 117.11 5.71 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -141.38 161.84 36.91 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 119.66 1.118 . . . . 0.0 111.98 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.7 m -125.21 152.09 44.99 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.446 1.091 . . . . 0.0 108.756 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 37.7 mm -67.37 142.9 15.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.73 0 C-N-CA 119.06 -1.056 . . . . 0.0 109.836 -177.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 57.71 43.49 94.45 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.701 173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -127.85 155.59 43.89 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -73.63 78.73 1.5 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 104.537 -2.394 . . . . 0.0 104.537 170.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 59.3 m -73.18 140.42 46.99 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.837 -1.077 . . . . 0.0 111.613 -169.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -83.45 132.65 34.95 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 171.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 27.2 mm -118.48 81.84 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.756 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.6 148.49 38.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 m -132.73 149.01 52.34 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 124.334 1.021 . . . . 0.0 109.741 -172.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 9.3 tp -60.3 155.5 3.51 Favored 'Isoleucine or valine' 0 C--N 1.35 0.612 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.06 46.56 65.01 Favored Glycine 0 C--N 1.352 1.43 0 C-N-CA 119.32 -1.419 . . . . 0.0 109.957 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.65 -170.92 31.04 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.245 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . 0.259 18.2 ptpt 54.08 155.11 0.0 OUTLIER 'General case' 0 C--N 1.355 0.815 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -139.18 171.0 14.93 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 177.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.481 ' CD2' ' CD1' ' A' ' 97' ' ' TYR . 8.3 m-85 -128.62 105.08 8.04 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 118.035 -0.984 . . . . 0.0 108.861 171.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -68.28 125.02 25.11 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 170.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.07 160.23 44.03 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 119.353 0.979 . . . . 0.0 111.147 -166.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 60.8 m -100.9 114.19 27.83 Favored 'General case' 0 C--N 1.354 0.791 0 CA-C-O 117.807 -1.092 . . . . 0.0 108.418 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.4 t -79.91 154.0 4.57 Favored 'Isoleucine or valine' 0 C--N 1.355 0.835 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 175.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -157.34 113.05 2.85 Favored 'General case' 0 C--N 1.353 0.747 0 CA-C-O 116.027 -1.94 . . . . 0.0 108.223 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.422 ' SD ' ' C ' ' A' ' 85' ' ' MET . 3.4 ppp? -108.48 148.14 30.65 Favored 'General case' 0 C--N 1.362 1.129 0 CA-C-N 120.592 1.542 . . . . 0.0 110.651 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -149.99 108.89 3.87 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 118.172 -0.918 . . . . 0.0 108.918 -174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 74.8 -103.85 1.61 Allowed Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.64 -1.644 . . . . 0.0 109.472 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -132.03 47.7 1.0 Allowed Glycine 0 C--N 1.355 1.639 0 N-CA-C 109.096 -1.602 . . . . 0.0 109.096 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -143.68 162.29 36.34 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 117.303 -1.332 . . . . 0.0 108.817 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . 0.278 10.2 p -137.05 130.22 44.8 Favored 'Isoleucine or valine' 0 C--N 1.354 0.798 0 CA-C-O 118.092 -0.956 . . . . 0.0 110.232 166.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.51 148.69 13.05 Favored 'Isoleucine or valine' 0 C--N 1.356 0.889 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 147.75 22.84 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.848 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 167.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.1 p-10 -156.07 149.04 24.22 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 118.262 -1.375 . . . . 0.0 113.312 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.4 p -136.98 177.4 2.2 Favored Pre-proline 0 C--N 1.356 0.882 0 CA-C-O 116.224 -1.846 . . . . 0.0 107.755 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -51.93 -39.18 69.45 Favored 'Trans proline' 0 C--N 1.358 1.062 0 CA-C-N 123.594 2.319 . . . . 0.0 114.25 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -119.1 -57.79 1.99 Allowed 'General case' 0 C--N 1.356 0.873 0 CA-C-O 118.618 -0.706 . . . . 0.0 112.028 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.481 ' CD1' ' CD2' ' A' ' 79' ' ' PHE . 31.1 t80 -72.87 157.11 38.08 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 119.406 1.003 . . . . 0.0 108.792 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.408 ' N ' ' CD1' ' A' ' 97' ' ' TYR . 6.4 t60 -152.83 154.03 34.31 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.365 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 34.1 t60 -156.83 152.77 27.28 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.606 172.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 18.1 p -143.61 157.84 44.11 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -144.46 144.34 31.32 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-O 117.707 -1.14 . . . . 0.0 108.474 175.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -146.64 161.36 40.72 Favored 'General case' 0 CA--C 1.503 -0.841 0 CA-C-N 119.153 0.888 . . . . 0.0 110.036 -173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.1 mm -123.07 144.85 31.17 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.601 0 O-C-N 124.454 1.097 . . . . 0.0 108.711 -177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.7 p -159.41 142.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 CA-C-O 117.064 -1.446 . . . . 0.0 109.698 171.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.8 t0 45.92 46.1 12.15 Favored 'General case' 0 C--N 1.354 0.803 0 CA-C-N 120.264 1.393 . . . . 0.0 112.111 175.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 50.7 38.6 36.78 Favored Glycine 0 C--N 1.353 1.522 0 C-N-CA 120.497 -0.858 . . . . 0.0 112.867 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -132.56 166.11 22.85 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 105.337 -2.097 . . . . 0.0 105.337 172.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 20.9 tp -117.76 146.2 43.95 Favored 'General case' 0 CA--C 1.509 -0.621 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 98.9 t -143.35 125.01 11.54 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -145.59 170.94 15.46 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 120.387 1.449 . . . . 0.0 111.373 -171.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.4 p -157.45 144.18 9.58 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 CA-C-O 117.974 -1.012 . . . . 0.0 108.852 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 39.6 p -130.43 161.33 31.63 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 62.8 m -152.62 150.11 29.15 Favored 'General case' 0 CA--C 1.505 -0.77 0 CA-C-O 117.746 -1.121 . . . . 0.0 109.283 -171.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -137.44 69.0 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.353 0.745 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.67 -89.32 1.62 Allowed Glycine 0 C--N 1.354 1.579 0 CA-C-O 117.885 -1.508 . . . . 0.0 109.879 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -116.59 23.57 10.2 Favored Glycine 0 C--N 1.356 1.678 0 CA-C-O 117.279 -1.845 . . . . 0.0 113.023 -175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 55.2 t -144.95 113.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.858 0 CA-C-N 119.894 1.847 . . . . 0.0 108.292 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.4 m -80.66 167.46 20.0 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 119.317 0.962 . . . . 0.0 109.401 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -149.46 79.96 1.39 Allowed 'General case' 0 C--N 1.351 0.665 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -54.78 164.43 0.78 Allowed 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.839 0.712 . . . . 0.0 111.035 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -165.26 96.51 0.69 Allowed 'General case' 0 C--N 1.351 0.669 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 169.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.7 p -70.65 152.2 8.93 Favored 'Isoleucine or valine' 0 C--N 1.359 0.991 0 N-CA-C 106.074 -1.824 . . . . 0.0 106.074 176.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.5 t -142.88 159.3 42.49 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 119.363 0.983 . . . . 0.0 110.435 -178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -135.76 160.76 37.55 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.354 -176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -90.18 145.69 24.84 Favored 'General case' 0 C--N 1.351 0.653 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.356 -174.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.53 -58.58 3.2 Favored 'General case' 0 C--N 1.356 0.877 0 N-CA-C 105.825 -1.917 . . . . 0.0 105.825 176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 0.798 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 176.862 . . . . . . . . 0 0 . 1 stop_ save_