data_2ggp_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 2ggp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 121.269 0.557 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -77.62 128.81 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.159 0.983 . . . . 0.0 111.237 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -108.14 156.1 19.68 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.718 1.607 . . . . 0.0 111.059 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.2 127.21 54.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.077 0.951 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.51 147.07 50.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.997 1.319 . . . . 0.0 111.114 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -140.09 124.65 18.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.518 0.727 . . . . 0.0 111.181 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -113.84 133.61 55.31 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.118 1.367 . . . . 0.0 110.074 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -95.89 120.99 37.15 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.701 1.2 . . . . 0.0 108.652 165.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.95 139.53 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.523 . . . . 0.0 109.159 -168.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.67 115.4 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.9 mtm -138.92 116.08 11.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.53 0.732 . . . . 0.0 112.092 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.4 m -83.92 -62.43 1.57 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.053 1.341 . . . . 0.0 111.897 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.58 160.05 15.6 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.6 p -64.3 -24.07 67.52 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 157.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.62 -2.62 60.84 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.905 1.24 . . . . 0.0 114.704 167.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -90.04 -53.93 4.26 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.671 1.235 . . . . 0.0 110.455 168.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 p -60.45 -36.97 79.51 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.175 -0.953 . . . . 0.0 112.288 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.28 75.02 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 121.346 -0.846 . . . . 0.0 114.33 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.31 -48.09 14.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.555 1.177 . . . . 0.0 110.736 169.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.83 -48.41 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.894 0.878 . . . . 0.0 110.736 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -56.26 -43.92 79.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.999 0.92 . . . . 0.0 112.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -64.83 -38.22 90.26 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.845 -1.16 . . . . 0.0 113.166 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.16 -47.83 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.612 1.096 . . . . 0.0 111.481 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.85 -24.86 61.77 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -53.55 -35.03 60.31 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.87 1.268 . . . . 0.0 112.224 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.1 -16.13 29.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.855 1.262 . . . . 0.0 113.487 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.32 -3.0 17.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.5 1.52 . . . . 0.0 113.912 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.2 -27.53 2.14 Favored Pre-proline 0 N--CA 1.475 0.812 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.93 -24.05 46.04 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 121.931 1.725 . . . . 0.0 113.809 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -126.5 -16.07 5.44 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.115 1.366 . . . . 0.0 114.175 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.09 127.82 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.678 1.591 . . . . 0.0 109.626 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.38 -28.4 14.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.74 139.5 23.99 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.267 -0.896 . . . . 0.0 112.007 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.48 128.91 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.766 2.026 . . . . 0.0 107.913 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.98 123.49 9.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.026 0.931 . . . . 0.0 111.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -111.43 141.28 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.402 1.081 . . . . 0.0 110.145 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -125.79 94.15 4.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.911 1.284 . . . . 0.0 109.726 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.1 -44.3 96.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.526 0.73 . . . . 0.0 112.612 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.01 -50.21 74.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.33 -5.83 25.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.852 0.861 . . . . 0.0 112.881 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 56.12 24.73 8.24 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.198 2.599 . . . . 0.0 113.99 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.348 4.5 pp -121.12 159.59 25.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.38 124.68 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 127.47 2.308 . . . . 0.0 107.893 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -100.18 132.97 45.25 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.223 1.409 . . . . 0.0 110.493 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -130.13 139.58 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.708 1.203 . . . . 0.0 110.231 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -125.47 121.24 33.19 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.647 1.579 . . . . 0.0 109.689 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -164.95 162.06 20.38 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.8 p -92.31 -7.29 48.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.947 2.099 . . . . 0.0 113.86 164.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.78 153.48 95.06 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 119.509 1.05 . . . . 0.0 111.655 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 138.44 28.49 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.305 2.67 . . . . 0.0 112.001 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -56.22 -46.95 79.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.957 1.303 . . . . 0.0 114.349 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.31 -25.64 68.13 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.33 -32.45 72.58 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.263 -0.898 . . . . 0.0 111.889 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.67 -42.51 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.204 -0.935 . . . . 0.0 109.979 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.8 mt -55.22 -39.91 70.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.024 0.829 . . . . 0.0 112.115 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -76.91 -27.15 54.83 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -74.96 -35.06 62.12 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.421 -1.424 . . . . 0.0 111.123 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.66 -46.81 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.985 0.914 . . . . 0.0 110.397 167.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.49 -35.5 76.09 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.036 -1.04 . . . . 0.0 112.786 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -73.35 -25.8 60.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 m -64.26 -34.15 77.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.192 0.997 . . . . 0.0 109.692 167.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.28 -9.72 61.22 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 126.185 1.85 . . . . 0.0 114.717 162.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.82 149.11 45.57 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.68 1.24 . . . . 0.0 112.076 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -78.06 141.84 38.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.032 0.533 . . . . 0.0 111.79 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -110.03 121.75 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.971 1.309 . . . . 0.0 109.52 -170.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.55 -39.17 38.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.2 1.0 . . . . 0.0 112.17 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.7 p -162.33 161.26 27.44 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.665 1.121 . . . . 0.0 112.547 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.42 9.44 Favored Glycine 0 N--CA 1.466 0.648 0 C-N-CA 124.405 1.003 . . . . 0.0 111.23 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -151.14 158.76 44.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.95 152.63 19.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.653 1.581 . . . . 0.0 111.331 167.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.134 1.774 . . . . 0.0 112.319 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.747 -0.094 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -84.92 -151.24 0.13 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -172.92 148.09 1.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 126.806 2.042 . . . . 0.0 109.487 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -145.37 149.78 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.406 1.483 . . . . 0.0 109.456 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.91 135.09 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.067 0.947 . . . . 0.0 109.151 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.75 144.01 33.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 111.554 -164.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.19 111.84 20.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.518 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.98 74.55 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.58 1.152 . . . . 0.0 108.613 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -53.3 -21.1 5.02 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -166.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.34 -11.52 85.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.858 -1.151 . . . . 0.0 115.214 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 23.1 mtm -68.15 120.24 14.02 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.365 1.582 . . . . 0.0 111.271 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -141.45 -61.85 0.47 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.615 1.566 . . . . 0.0 109.468 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.65 -176.46 5.82 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.68 1.592 . . . . 0.0 112.848 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.5 m -87.97 -49.78 6.84 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.893 1.277 . . . . 0.0 113.607 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.78 65.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -164.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -28.86 61.22 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.949 1.3 . . . . 0.0 113.136 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.8 p -80.41 -36.33 33.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -158.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -21.83 66.08 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.145 -177.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -53.1 -25.46 13.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.082 1.353 . . . . 0.0 112.869 167.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.51 -66.65 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.469 0.707 . . . . 0.0 110.512 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -57.05 -44.0 82.53 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.261 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.0 m -52.36 -46.62 66.22 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.599 1.159 . . . . 0.0 111.879 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.94 -49.81 18.89 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.317 0.508 . . . . 0.0 111.696 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.3 -47.3 82.86 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.866 0.757 . . . . 0.0 111.807 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -70.41 -1.68 11.44 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.84 43.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.414 1.006 . . . . 0.0 113.206 166.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.11 130.9 35.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.884 1.274 . . . . 0.0 110.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.43 25.53 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.38 -9.12 0.58 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.402 2.43 . . . . 0.0 114.945 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.73 129.31 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 120.314 2.057 . . . . 0.0 111.118 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.6 m -101.96 -32.33 10.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.427 1.891 . . . . 0.0 112.465 -172.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -165.01 151.38 10.29 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.253 1.821 . . . . 0.0 111.264 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -144.38 101.03 3.63 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.015 1.326 . . . . 0.0 111.256 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -100.32 161.81 13.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.995 1.718 . . . . 0.0 111.672 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -150.17 152.13 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.437 1.895 . . . . 0.0 110.663 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.1 m -131.78 122.22 25.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.31 1.444 . . . . 0.0 110.604 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.7 -19.93 30.14 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -161.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.8 -34.87 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.5 p -94.88 -3.45 48.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.511 1.524 . . . . 0.0 113.736 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.353 10.5 p30 51.74 15.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.135 2.974 . . . . 0.0 116.733 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.38 133.05 45.68 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.489 1.116 . . . . 0.0 110.165 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.46 126.55 49.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.854 1.661 . . . . 0.0 108.622 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -126.54 100.45 6.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.597 1.559 . . . . 0.0 109.066 -164.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.58 141.7 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.518 1.927 . . . . 0.0 110.414 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -130.08 130.4 44.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 126.357 1.863 . . . . 0.0 106.636 -171.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -163.17 148.13 11.39 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.669 1.223 . . . . 0.0 111.469 -168.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.57 -69.63 0.25 Allowed 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 129.219 3.008 . . . . 0.0 114.285 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 48.0 t30 178.12 156.61 0.4 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.269 2.228 . . . . 0.0 108.952 -158.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . 0.283 30.1 mt-10 104.22 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 1 C-N-CA 132.898 4.479 . . . . 0.0 112.752 165.17 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.13 147.44 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.831 1.652 . . . . 0.0 112.714 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -104.66 157.2 17.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.332 1.453 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.98 69.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.188 0.595 . . . . 0.0 112.041 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.02 -43.83 94.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.729 0.812 . . . . 0.0 112.174 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -64.21 -42.42 96.62 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.501 -0.749 . . . . 0.0 111.406 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.44 -43.06 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.231 1.012 . . . . 0.0 110.971 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -59.01 -32.29 69.57 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.17 -0.956 . . . . 0.0 112.887 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.02 -35.25 37.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.732 1.151 . . . . 0.0 110.258 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.02 -50.69 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.799 1.24 . . . . 0.0 111.305 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -75.99 -28.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.588 0.755 . . . . 0.0 111.449 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.71 -32.81 68.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.582 166.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.12 -7.11 54.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.427 1.467 . . . . 0.0 114.649 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.98 -9.1 58.34 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.131 0.878 . . . . 0.0 112.288 161.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.79 24.46 17.66 Favored Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.422 1.487 . . . . 0.0 114.403 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -107.89 -164.63 0.98 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.956 1.303 . . . . 0.0 110.979 173.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.88 11.21 4.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.214 1.406 . . . . 0.0 114.647 -162.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 28.2 p -63.36 145.16 56.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -148.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -119.24 138.46 52.97 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 108.266 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.65 106.93 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.402 1.081 . . . . 0.0 108.738 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -45.23 64.27 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.628 1.571 . . . . 0.0 109.468 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 mtm-85 -152.59 151.93 31.23 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.319 2.247 . . . . 0.0 108.409 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -87.59 32.98 0.7 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.469 1.508 . . . . 0.0 112.352 165.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 125.851 1.66 . . . . 0.0 113.867 -174.804 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 . . . . . 0 CA--C 1.554 1.109 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 78.7 mt 72.88 146.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 130.408 3.483 . . . . 0.0 115.026 165.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -130.66 163.08 27.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.384 1.474 . . . . 0.0 112.746 164.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -117.2 134.56 54.64 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.343 1.457 . . . . 0.0 111.515 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -131.35 154.22 48.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.209 1.803 . . . . 0.0 110.959 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -140.38 129.32 23.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.957 1.303 . . . . 0.0 108.915 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -128.96 139.72 51.98 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.57 1.148 . . . . 0.0 110.801 -173.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.11 114.67 28.74 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.084 1.754 . . . . 0.0 109.335 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t -149.91 133.43 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.08 0.952 . . . . 0.0 111.063 -159.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 t -78.29 131.86 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.348 1.459 . . . . 0.0 110.3 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.2 ptp -151.5 145.94 25.54 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.282 1.033 . . . . 0.0 110.24 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -61.35 -50.59 72.32 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -158.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 16' ' ' SER . 2.6 t -166.88 -172.59 2.13 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 125.432 1.493 . . . . 0.0 112.693 -170.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 p -48.35 -28.34 3.12 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.979 3.312 . . . . 0.0 115.826 174.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.91 -46.37 17.36 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HG ' ' CB ' ' B' ' 16' ' ' CYS . 98.7 m -57.99 -43.94 86.88 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.529 -0.748 . . . . 0.0 112.432 171.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.1 p -68.02 -37.11 81.0 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.96 1.254 . . . . 0.0 112.712 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.36 73.59 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 119.245 0.929 . . . . 0.0 113.57 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.9 22.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.8 1.64 . . . . 0.0 112.031 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.1 t -57.9 -40.57 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.136 -0.978 . . . . 0.0 110.062 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -55.3 -41.84 72.89 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.327 169.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -64.26 -40.45 96.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.658 1.117 . . . . 0.0 113.154 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.48 -40.15 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 120.015 1.279 . . . . 0.0 110.931 172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.87 -3.6 59.09 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.825 1.25 . . . . 0.0 113.771 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.7 m -80.99 -51.08 8.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.418 1.487 . . . . 0.0 109.667 166.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.13 -15.24 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.592 -1.318 . . . . 0.0 114.416 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.41 1.53 54.22 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.697 1.599 . . . . 0.0 115.074 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -47.62 -32.92 3.2 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -58.58 -14.1 19.93 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 121.773 1.669 . . . . 0.0 114.827 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -132.91 -24.03 1.95 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.568 1.547 . . . . 0.0 114.063 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.77 133.16 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 120.356 -1.465 . . . . 0.0 110.565 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -44.97 11.56 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.147 1.379 . . . . 0.0 111.846 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.75 149.45 3.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.21 1.804 . . . . 0.0 110.445 -170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -133.97 168.98 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.964 1.706 . . . . 0.0 111.933 161.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -158.27 129.95 6.71 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.264 1.026 . . . . 0.0 111.664 162.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.4 mt -99.16 121.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.185 0.994 . . . . 0.0 110.274 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 m -102.36 77.34 1.64 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.475 1.91 . . . . 0.0 109.29 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.41 -37.78 88.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.989 1.716 . . . . 0.0 114.037 -165.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.83 -31.66 61.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.858 0.754 . . . . 0.0 111.739 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -81.26 -3.33 52.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.058 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 80.39 10.2 1.17 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.853 2.461 . . . . 0.0 113.642 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -125.26 158.3 34.45 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -166.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.84 134.6 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 127.076 2.15 . . . . 0.0 109.172 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -101.79 138.32 38.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.326 1.45 . . . . 0.0 110.822 171.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.45 142.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.752 1.221 . . . . 0.0 111.583 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.49 126.27 27.38 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.579 1.952 . . . . 0.0 109.445 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 t -170.63 155.74 5.01 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 p -76.02 -5.4 46.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 128.913 2.885 . . . . 0.0 114.275 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.85 158.7 67.43 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.216 1.406 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.84 167.24 10.64 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.345 3.363 . . . . 0.0 113.735 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -77.66 -45.55 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.432 0.693 . . . . 0.0 111.37 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.88 -43.14 65.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.7 1.2 . . . . 0.0 111.951 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.65 -35.04 76.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.384 0.673 . . . . 0.0 112.797 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.8 -41.81 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.429 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.91 -41.14 64.14 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.09 0.859 . . . . 0.0 111.665 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -71.96 -37.2 69.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.887 1.675 . . . . 0.0 113.814 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -66.69 -44.98 80.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.221 1.373 . . . . 0.0 111.554 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.47 -54.87 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.418 1.087 . . . . 0.0 110.226 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -47.83 -48.97 30.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.975 1.31 . . . . 0.0 112.829 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -61.46 -28.97 69.66 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.0 p -69.2 -15.99 63.51 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.84 7.55 80.98 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 124.541 1.067 . . . . 0.0 114.967 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -91.51 137.77 32.1 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.488 1.515 . . . . 0.0 109.663 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.54 126.37 35.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.385 -0.822 . . . . 0.0 111.379 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.5 t -82.89 133.1 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.085 1.354 . . . . 0.0 110.152 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -93.74 -51.47 4.9 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.071 1.348 . . . . 0.0 109.798 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -168.21 169.78 10.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.918 1.687 . . . . 0.0 111.249 167.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.71 156.85 26.91 Favored Glycine 0 N--CA 1.471 0.995 0 O-C-N 121.195 -0.941 . . . . 0.0 114.268 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -154.61 160.04 41.21 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -100.78 147.07 26.48 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.705 2.002 . . . . 0.0 111.17 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.255 1.376 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.174 -174.502 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.715 0.293 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -145.87 112.94 6.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 129.222 3.009 . . . . 0.0 108.281 -167.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -75.13 144.03 43.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.977 1.711 . . . . 0.0 112.583 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.3 156.16 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 126.784 2.034 . . . . 0.0 110.162 165.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 tt -131.87 142.82 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 123.418 0.687 . . . . 0.0 109.342 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.92 146.63 39.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.553 1.141 . . . . 0.0 110.528 -172.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.68 118.38 32.25 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.541 0.736 . . . . 0.0 109.916 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.88 74.38 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.557 1.143 . . . . 0.0 108.785 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -28.47 68.65 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.413 -0.805 . . . . 0.0 112.555 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.08 16.64 56.67 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.826 1.679 . . . . 0.0 114.653 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.4 ptm -62.82 166.06 6.0 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.113 1.457 . . . . 0.0 113.813 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -170.65 144.96 2.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.582 1.953 . . . . 0.0 110.176 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t 53.35 -150.97 0.35 Allowed 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 129.113 2.965 . . . . 0.0 113.942 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 80.9 p -118.05 -89.05 0.6 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.729 1.612 . . . . 0.0 111.804 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.74 61.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.443 1.497 . . . . 0.0 113.265 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.404 ' CB ' ' HG ' ' A' ' 18' ' ' CYS . 72.2 m -52.04 -41.3 62.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.638 1.575 . . . . 0.0 112.141 170.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.0 p -63.28 -31.89 73.16 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.548 1.139 . . . . 0.0 112.986 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.31 -8.27 38.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.642 1.11 . . . . 0.0 112.664 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -55.24 -28.2 51.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.737 1.153 . . . . 0.0 110.917 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.84 -51.38 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.734 0.697 . . . . 0.0 110.799 168.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.13 -38.6 91.14 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.98 -1.075 . . . . 0.0 111.746 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -52.23 -41.3 62.64 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.203 0.91 . . . . 0.0 113.338 169.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.98 -51.21 41.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.186 0.903 . . . . 0.0 111.54 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.07 -35.32 80.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.605 0.638 . . . . 0.0 112.287 -175.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -70.5 -2.62 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.343 1.457 . . . . 0.0 113.929 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.1 -9.48 21.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.94 1.296 . . . . 0.0 113.859 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.52 -168.5 2.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.502 1.521 . . . . 0.0 110.586 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -127.04 135.95 51.52 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.589 1.156 . . . . 0.0 110.261 167.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.36 -32.9 3.97 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-O 118.023 -1.432 . . . . 0.0 115.471 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.65 123.76 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.312 2.056 . . . . 0.0 110.419 -174.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -86.65 -38.93 16.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.485 1.514 . . . . 0.0 112.209 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -168.44 145.9 4.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.445 1.898 . . . . 0.0 111.171 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t -127.52 135.25 50.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 111.602 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -135.67 118.35 16.03 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.87 1.268 . . . . 0.0 112.711 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.87 125.52 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 127.657 2.383 . . . . 0.0 110.116 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -107.41 107.67 18.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.315 1.046 . . . . 0.0 111.282 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.43 -18.28 62.33 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.76 -24.27 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.259 0.936 . . . . 0.0 111.666 173.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -125.52 -2.45 7.39 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.322 12.1 p30 50.64 18.94 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.07 2.148 . . . . 0.0 115.886 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -78.42 132.85 37.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.728 1.211 . . . . 0.0 110.48 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.99 121.1 42.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.39 1.476 . . . . 0.0 108.782 171.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -114.47 101.37 9.07 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 125.559 1.543 . . . . 0.0 107.793 -168.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.69 142.07 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.714 1.606 . . . . 0.0 110.555 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.2 m -129.53 130.55 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 127.079 2.152 . . . . 0.0 106.157 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -156.62 135.12 11.5 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 122.818 1.294 . . . . 0.0 111.627 -166.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.6 149.44 47.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.134 0.968 . . . . 0.0 110.931 158.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -70.51 10.99 0.4 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -161.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.85 -15.51 59.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.858 1.263 . . . . 0.0 113.348 167.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -126.92 163.8 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.49 2.316 . . . . 0.0 109.311 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -125.62 151.36 46.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.005 1.722 . . . . 0.0 110.828 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.42 68.7 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.27 -28.38 67.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.654 0.782 . . . . 0.0 111.909 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -73.54 -37.36 65.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.802 -1.187 . . . . 0.0 111.115 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.11 -42.32 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.784 -1.197 . . . . 0.0 110.136 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.8 -5.33 8.58 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.529 1.532 . . . . 0.0 114.234 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -102.9 -52.3 3.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.593 1.557 . . . . 0.0 108.044 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.7 mm -46.74 -52.53 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.77 2.428 . . . . 0.0 113.454 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.14 -31.48 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.387 0.675 . . . . 0.0 111.071 -177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -79.63 -28.07 40.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.67 -15.18 52.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.202 0.91 . . . . 0.0 113.375 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.15 -29.82 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.992 -1.067 . . . . 0.0 111.613 164.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.99 24.98 5.29 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.139 1.828 . . . . 0.0 115.014 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.93 -155.82 0.57 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.49 1.145 . . . . 0.0 110.243 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -156.74 139.97 15.58 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.261 1.824 . . . . 0.0 107.72 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -162.31 156.88 22.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.07 145.26 51.32 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.969 2.108 . . . . 0.0 107.289 164.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.93 116.17 5.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 167.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.04 -47.04 9.26 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.885 1.274 . . . . 0.0 108.821 -164.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -157.04 150.51 24.23 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.79 1.636 . . . . 0.0 109.424 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.82 23.03 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.467 1.507 . . . . 0.0 114.89 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 128.109 2.564 . . . . 0.0 112.939 -178.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 CA--C 1.536 0.43 0 CA-C-O 121.136 0.493 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.3 mt -89.33 143.19 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -170.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.93 168.41 11.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.394 2.278 . . . . 0.0 111.053 171.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -132.61 133.61 43.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.391 1.476 . . . . 0.0 111.153 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -142.15 148.2 37.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.056 1.342 . . . . 0.0 111.876 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -141.58 147.03 37.02 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 111.362 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -143.43 144.45 32.03 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.436 1.494 . . . . 0.0 111.213 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -91.75 119.96 32.05 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.824 1.249 . . . . 0.0 108.831 160.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.42 138.47 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.038 1.335 . . . . 0.0 109.494 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -71.76 110.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.7 mtm -130.01 96.59 4.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.473 1.109 . . . . 0.0 109.462 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -89.31 -51.82 5.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.074 2.149 . . . . 0.0 112.391 -167.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.7 p -89.84 -161.56 0.79 Allowed 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 122.724 1.249 . . . . 0.0 113.84 -166.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 p -93.03 -10.53 35.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.21 2.204 . . . . 0.0 113.662 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.74 -15.61 6.76 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 125.133 1.349 . . . . 0.0 116.019 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 t -65.86 -41.66 91.35 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.662 1.731 . . . . 0.0 112.65 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.54 -21.94 41.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.7 1.6 . . . . 0.0 114.191 171.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.94 -43.42 5.39 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.983 1.277 . . . . 0.0 111.357 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.9 93.88 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.551 1.176 . . . . 0.0 111.966 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.62 -44.77 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 122.843 0.457 . . . . 0.0 111.068 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -59.09 -43.32 91.84 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.651 0.66 . . . . 0.0 111.479 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -61.34 -21.85 64.39 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.081 1.353 . . . . 0.0 114.09 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.46 -45.72 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.757 1.162 . . . . 0.0 111.598 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.08 -33.7 44.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.221 1.008 . . . . 0.0 113.233 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 p -65.25 -15.98 63.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.027 1.331 . . . . 0.0 114.349 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -75.78 -5.34 45.32 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.589 1.155 . . . . 0.0 113.124 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.3 mt -125.46 22.26 7.72 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.19 1.796 . . . . 0.0 112.818 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -56.3 -24.94 1.56 Allowed Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -60.91 -24.49 79.46 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 CA-C-N 121.852 1.697 . . . . 0.0 113.359 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -122.81 -23.46 5.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.997 1.319 . . . . 0.0 114.352 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.53 132.4 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.345 1.458 . . . . 0.0 109.83 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -99.12 -39.51 8.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.455 1.502 . . . . 0.0 113.27 -167.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -162.25 145.37 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.622 1.169 . . . . 0.0 111.998 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -134.53 143.26 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.442 1.497 . . . . 0.0 109.579 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.5 125.37 11.95 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.889 1.222 . . . . 0.0 112.262 162.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.9 117.63 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.156 0.982 . . . . 0.0 110.773 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -111.87 92.94 4.22 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.718 -1.239 . . . . 0.0 111.036 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.84 -43.32 94.66 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.984 1.314 . . . . 0.0 113.684 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.98 -28.11 64.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.246 1.018 . . . . 0.0 112.242 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -89.25 -4.3 58.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.442 1.097 . . . . 0.0 112.86 170.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 49.93 27.22 2.29 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.24 2.216 . . . . 0.0 114.623 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -100.15 150.41 22.53 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.696 1.198 . . . . 0.0 113.141 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -127.22 126.99 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 113.343 -1.753 . . . . 0.0 108.503 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -118.04 130.79 56.37 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 110.894 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -139.3 139.97 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.914 0.885 . . . . 0.0 111.778 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.57 138.28 54.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.264 1.826 . . . . 0.0 109.899 160.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 t -168.89 156.42 7.48 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.224 1.41 . . . . 0.0 111.378 -174.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.0 p -81.97 -8.06 59.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.433 1.493 . . . . 0.0 113.056 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.46 149.32 86.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.104 1.362 . . . . 0.0 112.532 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.41 150.38 32.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.823 3.015 . . . . 0.0 111.865 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.63 -38.26 89.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 0.0 112.838 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.19 -33.2 67.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.991 1.317 . . . . 0.0 112.857 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.7 -31.67 63.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.656 -0.652 . . . . 0.0 112.008 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.3 -41.48 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.004 0.921 . . . . 0.0 110.852 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.19 -34.92 75.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.432 0.693 . . . . 0.0 112.143 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -74.53 -32.51 62.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.81 1.244 . . . . 0.0 113.977 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -67.52 -35.68 79.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.598 1.09 . . . . 0.0 111.683 167.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.54 -39.89 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.131 0.972 . . . . 0.0 111.452 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.23 -42.63 99.27 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.915 0.78 . . . . 0.0 111.138 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.0 -40.2 87.29 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -76.66 -11.52 59.87 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -25.39 2.63 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.678 1.608 . . . . 0.0 115.669 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.47 132.06 51.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.53 1.165 . . . . 0.0 111.083 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.43 151.21 41.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.145 0.578 . . . . 0.0 112.358 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.83 149.59 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.483 1.113 . . . . 0.0 111.385 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -102.43 -31.74 10.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.398 1.079 . . . . 0.0 112.821 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 p -171.95 169.67 5.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 110.597 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.12 164.62 22.0 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 121.509 -0.744 . . . . 0.0 114.254 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -168.53 171.44 8.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.339 1.456 . . . . 0.0 114.062 -174.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.09 146.17 25.82 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.315 2.246 . . . . 0.0 111.237 172.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.941 1.697 . . . . 0.0 113.165 -173.544 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -178.93 150.35 0.48 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.803 2.841 . . . . 0.0 107.93 -170.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -140.39 148.12 40.78 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 127.673 2.389 . . . . 0.0 111.577 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 m -152.75 161.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 126.043 1.737 . . . . 0.0 111.229 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.9 135.74 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.225 1.01 . . . . 0.0 109.247 164.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -112.15 154.29 25.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.33 1.852 . . . . 0.0 109.675 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.63 138.74 31.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.99 0.516 . . . . 0.0 109.618 159.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.37 87.87 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.494 1.918 . . . . 0.0 108.06 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.47 -13.03 62.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 7.41 67.34 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.479 -167.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.2 ptp -85.83 154.95 21.2 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.429 1.614 . . . . 0.0 112.323 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.4 t 167.02 -37.87 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 129.758 3.223 . . . . 0.0 110.963 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.77 165.13 25.44 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.882 2.073 . . . . 0.0 113.961 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -92.76 3.66 55.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -162.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.21 -24.14 0.74 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -63.71 -22.39 66.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 120.676 1.58 . . . . 0.0 112.672 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -58.45 -47.93 82.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 125.953 1.701 . . . . 0.0 112.611 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -29.63 69.74 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.088 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -55.54 -33.95 64.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.433 1.093 . . . . 0.0 111.005 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -54.31 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.833 0.742 . . . . 0.0 109.188 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -63.64 -54.0 42.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.51 1.124 . . . . 0.0 112.622 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 m -48.22 -39.74 22.18 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.368 1.467 . . . . 0.0 112.596 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.13 -53.39 4.89 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.909 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.311 0.7 OUTLIER -74.8 -28.75 60.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.128 1.331 . . . . 0.0 112.998 -173.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -57.84 -25.29 60.47 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.72 1.146 . . . . 0.0 112.698 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -0.74 53.86 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.4 mt -79.95 133.02 36.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.593 1.088 . . . . 0.0 110.471 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -61.75 117.09 5.38 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.3 1.04 . . . . 0.0 110.869 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.21 -25.1 16.79 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.784 1.659 . . . . 0.0 113.953 -170.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.19 137.06 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 120.529 2.165 . . . . 0.0 111.596 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.0 m -106.53 -41.13 5.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.575 1.55 . . . . 0.0 111.528 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -165.08 161.16 19.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.93 1.292 . . . . 0.0 113.114 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.1 130.6 27.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.152 2.181 . . . . 0.0 110.916 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -131.14 167.0 19.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.89 1.676 . . . . 0.0 110.53 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.6 pt -148.7 167.95 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.548 1.539 . . . . 0.0 112.775 -170.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.2 m -138.59 109.94 6.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 111.519 165.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.55 -30.51 67.18 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.4 1.88 . . . . 0.0 116.045 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 83.5 t -81.54 -34.38 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.374 0.533 . . . . 0.0 111.264 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -102.02 -7.72 22.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.141 1.376 . . . . 0.0 113.795 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 65.12 25.13 12.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.468 1.907 . . . . 0.0 112.802 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -87.29 143.9 27.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.991 1.717 . . . . 0.0 111.563 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 92.3 m -132.21 121.33 23.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.509 . . . . 0.0 109.857 169.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -113.12 116.28 29.61 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.9 139.18 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.79 2.036 . . . . 0.0 110.701 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -123.31 122.36 38.14 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 127.382 2.273 . . . . 0.0 106.693 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -152.75 -144.08 0.14 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -165.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -174.57 153.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.918 3.287 . . . . 0.0 109.96 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -75.68 8.79 2.69 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -158.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.03 -19.03 64.9 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.736 1.214 . . . . 0.0 112.679 164.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.15 157.83 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 109.503 166.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 p -119.69 158.85 25.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.877 1.671 . . . . 0.0 111.983 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.96 58.85 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.95 -37.91 69.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.921 1.288 . . . . 0.0 112.657 171.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 75.4 m -66.52 -39.54 88.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.579 -0.7 . . . . 0.0 110.535 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.91 -41.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.167 -0.958 . . . . 0.0 110.17 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -67.44 -4.59 11.68 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -95.83 -54.49 3.32 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.296 -1.503 . . . . 0.0 108.067 169.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.81 -49.22 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.518 1.527 . . . . 0.0 112.634 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.99 -23.0 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.325 -0.859 . . . . 0.0 111.509 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.68 -27.82 58.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.766 -0.635 . . . . 0.0 112.643 166.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -79.12 -19.74 50.35 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.812 1.245 . . . . 0.0 113.383 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.2 m -72.14 -10.95 60.47 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.355 1.062 . . . . 0.0 113.0 165.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.49 19.57 27.28 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.419 1.009 . . . . 0.0 115.01 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.87 -170.61 1.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.94 1.37 . . . . 0.0 110.644 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -134.62 132.77 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 127.03 2.132 . . . . 0.0 107.119 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -164.81 163.41 21.25 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -158.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -172.54 156.14 3.57 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.728 2.411 . . . . 0.0 110.498 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 tp -49.05 126.95 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.339 1.056 . . . . 0.0 111.385 160.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -101.94 -48.82 4.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.74 1.216 . . . . 0.0 108.913 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -170.83 177.22 3.89 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.945 2.098 . . . . 0.0 110.723 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.33 70.06 5.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.533 1.933 . . . . 0.0 111.801 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.462 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.41 129.8 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 125.011 1.325 . . . . 0.0 110.516 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.78 152.9 18.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.809 1.644 . . . . 0.0 110.989 164.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -113.36 134.14 54.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.949 1.3 . . . . 0.0 110.025 168.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -125.07 144.43 50.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.126 1.37 . . . . 0.0 110.303 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -134.41 117.5 16.38 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.736 0.814 . . . . 0.0 110.112 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.04 134.65 55.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.963 1.305 . . . . 0.0 111.106 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -99.08 122.29 42.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.433 1.893 . . . . 0.0 107.281 165.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.81 145.22 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.331 1.052 . . . . 0.0 110.41 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 116.47 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.619 0.768 . . . . 0.0 110.16 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.6 mtm -142.03 141.22 32.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.157 0.983 . . . . 0.0 112.984 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 m -139.72 -22.06 0.89 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.111 1.764 . . . . 0.0 113.427 -167.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.2 143.85 27.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.975 1.31 . . . . 0.0 111.445 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -63.49 -24.63 67.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.494 1.518 . . . . 0.0 114.369 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.44 -42.9 9.81 Favored Glycine 0 N--CA 1.47 0.933 0 CA-C-N 119.077 0.853 . . . . 0.0 111.722 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.6 t -66.11 -31.62 72.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.033 1.333 . . . . 0.0 112.932 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 p -82.97 -43.02 16.9 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.688 -1.257 . . . . 0.0 111.505 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -19.0 43.11 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 125.084 1.326 . . . . 0.0 113.708 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.64 -44.19 37.21 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.181 0.993 . . . . 0.0 112.678 161.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.03 -47.68 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.721 1.146 . . . . 0.0 110.701 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -54.97 -55.02 35.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.899 0.88 . . . . 0.0 110.789 170.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.92 -20.56 62.46 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.41 -54.67 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 O-C-N 120.416 -1.428 . . . . 0.0 110.375 163.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.29 -16.34 59.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.0 m -56.03 -27.22 52.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.487 1.115 . . . . 0.0 112.435 164.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.32 -10.16 10.29 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.281 -1.512 . . . . 0.0 114.001 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -115.98 22.01 13.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.437 1.895 . . . . 0.0 113.193 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -47.24 -35.37 5.96 Favored Pre-proline 0 N--CA 1.481 1.084 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.79 -13.18 38.9 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.748 1.632 . . . . 0.0 114.098 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -130.74 -30.95 1.79 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.183 1.793 . . . . 0.0 113.808 -171.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -109.52 119.01 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.899 2.08 . . . . 0.0 107.295 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 p -89.7 -33.93 16.43 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -155.29 141.98 18.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.444 1.098 . . . . 0.0 112.802 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 mp -123.35 136.87 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.901 1.68 . . . . 0.0 109.103 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -145.85 113.99 6.59 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.338 1.055 . . . . 0.0 112.08 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.3 mt -98.32 143.34 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.274 1.43 . . . . 0.0 111.438 -173.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -132.82 88.94 2.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.154 1.782 . . . . 0.0 109.742 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.73 -38.2 86.2 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.353 1.061 . . . . 0.0 113.854 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -63.71 -37.61 87.99 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.234 0.925 . . . . 0.0 110.568 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -92.75 10.72 29.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.853 1.261 . . . . 0.0 113.027 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 57.85 22.21 8.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.471 2.308 . . . . 0.0 115.338 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.13 151.94 22.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.332 1.453 . . . . 0.0 113.818 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -137.36 129.85 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.793 2.037 . . . . 0.0 109.01 170.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -102.78 135.58 44.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.396 1.478 . . . . 0.0 110.507 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.79 141.39 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.926 1.29 . . . . 0.0 110.685 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -131.13 129.47 41.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.036 1.734 . . . . 0.0 111.008 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -169.32 155.97 6.64 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.876 0.87 . . . . 0.0 113.214 -171.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -83.15 -7.54 59.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.452 1.501 . . . . 0.0 113.75 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.33 164.28 62.17 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.779 1.632 . . . . 0.0 114.104 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.17 149.39 89.46 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.048 3.165 . . . . 0.0 112.929 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -67.35 -47.16 71.24 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.85 0.86 . . . . 0.0 111.731 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -63.22 -23.14 67.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.642 1.177 . . . . 0.0 112.936 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -67.26 -41.88 84.81 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.762 -0.586 . . . . 0.0 110.959 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mm -69.06 -34.81 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.775 0.83 . . . . 0.0 111.989 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.76 -42.31 68.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.923 0.889 . . . . 0.0 112.422 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.42 -30.33 57.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.914 1.286 . . . . 0.0 113.809 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.57 -37.97 80.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.641 1.109 . . . . 0.0 110.969 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.56 -50.55 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.594 -0.691 . . . . 0.0 110.27 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -53.34 -40.28 64.75 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.056 0.844 . . . . 0.0 112.392 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -54.61 -30.26 54.17 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.5 p -77.83 19.09 0.42 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.792 1.237 . . . . 0.0 114.16 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.15 85.2 Favored Glycine 0 N--CA 1.469 0.838 0 C-N-CA 125.385 1.469 . . . . 0.0 115.061 163.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.6 150.97 48.58 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -165.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -86.21 139.85 30.68 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -88.85 126.35 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.529 1.532 . . . . 0.0 108.656 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -78.48 -42.03 30.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.432 1.493 . . . . 0.0 111.436 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 149.08 3.63 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.196 1.399 . . . . 0.0 112.758 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.13 141.06 12.33 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 125.289 1.423 . . . . 0.0 113.565 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -124.83 151.49 45.16 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 113.184 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.37 128.4 52.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.236 2.214 . . . . 0.0 108.764 166.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 123.975 0.91 . . . . 0.0 112.254 -169.425 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -168.09 148.21 4.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 127.997 2.519 . . . . 0.0 107.204 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.99 151.41 50.8 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.838 2.055 . . . . 0.0 111.704 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 p -162.29 135.42 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.345 1.058 . . . . 0.0 111.217 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -118.39 137.42 52.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 pp -139.13 141.51 38.06 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.972 0.909 . . . . 0.0 111.25 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.04 111.14 22.47 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.016 0.826 . . . . 0.0 110.202 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.77 113.06 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.014 0.926 . . . . 0.0 110.886 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -78.72 -3.76 45.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.826 1.251 . . . . 0.0 113.997 -172.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.14 3.48 28.43 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -164.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -107.24 151.96 24.75 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.826 1.313 . . . . 0.0 113.884 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 -49.08 1.75 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.202 1.001 . . . . 0.0 112.352 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 p -145.55 -168.79 3.06 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.203 1.401 . . . . 0.0 113.221 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -72.93 4.66 3.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.604 1.562 . . . . 0.0 114.29 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.23 -48.55 6.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.504 1.122 . . . . 0.0 109.89 163.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -55.95 -39.88 72.37 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.06 1.344 . . . . 0.0 112.329 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 p -66.75 -54.47 22.51 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 111.682 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -70.33 -17.32 63.06 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.128 1.331 . . . . 0.0 113.248 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -70.0 -19.17 63.34 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.619 -0.676 . . . . 0.0 111.276 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.7 -64.56 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.486 1.114 . . . . 0.0 110.303 169.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -56.0 -54.95 38.65 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.135 1.374 . . . . 0.0 111.918 -169.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.9 m -53.78 -34.75 60.04 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.663 1.12 . . . . 0.0 113.017 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -78.18 -43.87 27.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.826 0.739 . . . . 0.0 112.081 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.51 -43.42 49.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.737 0.815 . . . . 0.0 112.296 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -54.87 -28.51 50.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.361 1.065 . . . . 0.0 113.06 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 0.71 15.57 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.297 1.439 . . . . 0.0 114.866 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -76.66 123.94 26.9 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 119.645 1.111 . . . . 0.0 110.953 173.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -65.94 105.67 1.38 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.651 0.78 . . . . 0.0 110.104 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.89 -24.5 3.82 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.643 2.068 . . . . 0.0 113.728 -169.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.46 140.56 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 118.904 1.352 . . . . 0.0 110.67 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 34.9 p -120.36 -32.34 4.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.266 1.827 . . . . 0.0 113.535 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -143.69 153.98 43.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.934 1.694 . . . . 0.0 110.33 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 35.7 t -147.87 136.31 21.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.172 0.989 . . . . 0.0 111.258 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.37 159.61 44.18 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.259 1.824 . . . . 0.0 111.72 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -150.17 136.08 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.261 2.225 . . . . 0.0 109.639 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -119.55 137.33 53.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.091 0.956 . . . . 0.0 110.952 166.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.14 -29.59 16.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.391 1.077 . . . . 0.0 113.706 -155.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -76.63 -20.55 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 111.773 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -127.17 10.31 6.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.295 2.238 . . . . 0.0 112.637 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.5 8.76 5.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.793 1.637 . . . . 0.0 114.353 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -89.95 122.56 33.09 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.308 1.043 . . . . 0.0 112.498 -166.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -113.45 126.74 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.152 2.181 . . . . 0.0 110.002 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -114.35 103.02 10.65 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.239 1.815 . . . . 0.0 108.597 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.51 134.09 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.468 1.507 . . . . 0.0 110.424 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -134.03 121.72 21.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.991 1.316 . . . . 0.0 108.825 -168.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -147.4 -151.46 0.39 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.792 1.237 . . . . 0.0 111.21 -161.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.75 163.69 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 127.787 2.435 . . . . 0.0 110.706 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.4 -0.46 3.68 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -154.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -63.39 -27.44 69.31 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 111.739 161.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 78.1 t -107.14 152.76 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.207 1.803 . . . . 0.0 108.365 169.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.9 t -134.5 144.07 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.813 1.645 . . . . 0.0 110.649 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.47 49.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.196 1.398 . . . . 0.0 113.445 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.29 -38.49 68.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.194 0.998 . . . . 0.0 112.186 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -69.76 -39.92 76.42 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 90.5 mt -54.8 -47.35 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 121.616 -0.677 . . . . 0.0 110.104 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -70.06 4.56 2.05 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.07 -38.29 4.22 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.101 -1.624 . . . . 0.0 110.265 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -72.32 -39.65 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 111.736 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.93 -26.85 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.385 0.993 . . . . 0.0 111.363 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -80.9 -33.26 34.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.239 0.615 . . . . 0.0 111.113 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -67.06 -23.97 65.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.131 1.373 . . . . 0.0 112.685 171.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.46 -14.99 56.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 113.185 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.76 22.72 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.967 1.27 . . . . 0.0 116.202 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -114.96 -167.09 1.18 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.171 1.388 . . . . 0.0 110.11 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -169.24 140.94 2.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.842 1.257 . . . . 0.0 110.065 -164.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 23.2 p -161.05 172.75 16.3 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.705 1.202 . . . . 0.0 112.191 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.45 -0.95 21.91 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mm 47.36 78.71 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 128.392 2.677 . . . . 0.0 110.095 -161.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . 0.284 0.5 OUTLIER -54.04 -44.78 71.31 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -166.044 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -170.26 140.3 1.87 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.195 1.798 . . . . 0.0 112.086 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.85 36.31 0.39 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.912 2.885 . . . . 0.0 114.136 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.256 1.424 0 C-N-CA 127.358 2.263 . . . . 0.0 116.932 -158.514 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 121.169 0.509 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.9 mt -72.64 136.11 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.448 0.699 . . . . 0.0 109.791 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -111.97 146.2 38.27 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.643 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -105.69 125.65 51.24 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.418 0.687 . . . . 0.0 111.61 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -128.02 157.62 40.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.532 1.533 . . . . 0.0 111.111 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -152.83 131.76 12.52 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.48 -0.763 . . . . 0.0 112.169 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.05 151.11 50.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.99 1.716 . . . . 0.0 110.67 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -111.06 127.78 55.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.208 1.403 . . . . 0.0 109.839 170.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.26 138.41 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.367 1.067 . . . . 0.0 109.569 -167.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.24 114.37 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 0.0 109.898 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.67 118.3 13.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.89 0.876 . . . . 0.0 112.261 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 p -70.12 -38.3 75.56 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.891 1.677 . . . . 0.0 114.539 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.2 p -169.04 177.16 5.01 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 122.097 0.951 . . . . 0.0 113.352 -150.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -68.31 -6.67 25.36 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.771 -1.206 . . . . 0.0 113.973 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.25 94.95 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.282 0.947 . . . . 0.0 111.154 167.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -59.44 -48.16 82.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.809 0.843 . . . . 0.0 111.2 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -57.5 -25.94 60.55 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.3 -63.72 1.92 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.35 89.41 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.97 -46.2 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.552 0.615 . . . . 0.0 110.773 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.81 -42.55 89.43 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.997 0.817 . . . . 0.0 110.677 171.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -71.07 3.74 3.21 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.643 1.577 . . . . 0.0 114.997 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.4 -51.77 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.721 -1.237 . . . . 0.0 110.798 156.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.12 -15.44 61.48 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -57.09 -23.72 48.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.181 1.793 . . . . 0.0 113.877 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.86 -11.87 61.0 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.841 1.257 . . . . 0.0 113.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -123.7 17.56 9.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.056 1.742 . . . . 0.0 113.441 -169.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.25 -27.65 3.0 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -58.98 -24.11 71.6 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 121.635 1.62 . . . . 0.0 113.752 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -115.95 -34.32 4.8 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.828 1.651 . . . . 0.0 113.644 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t -88.27 131.68 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.246 1.418 . . . . 0.0 110.025 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -99.85 -36.19 9.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.117 0.967 . . . . 0.0 113.277 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.21 143.91 19.44 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.053 0.941 . . . . 0.0 112.341 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.09 138.89 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.531 1.533 . . . . 0.0 108.266 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.39 123.24 29.43 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.09 0.859 . . . . 0.0 112.134 165.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -96.98 131.03 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.427 1.491 . . . . 0.0 108.494 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 m -114.19 85.23 2.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.163 1.385 . . . . 0.0 108.885 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.91 -51.66 66.84 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.973 1.309 . . . . 0.0 113.193 -167.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -67.18 -34.18 76.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.281 1.032 . . . . 0.0 111.197 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -81.88 -1.58 48.2 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.461 1.504 . . . . 0.0 112.903 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 56.85 18.7 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.474 2.71 . . . . 0.0 115.336 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.23 153.84 18.95 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.277 1.431 . . . . 0.0 113.204 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -133.92 126.22 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.331 1.853 . . . . 0.0 108.712 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.59 132.1 54.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.397 1.879 . . . . 0.0 109.323 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.02 141.66 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.402 1.081 . . . . 0.0 110.882 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -128.03 115.29 18.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.238 1.815 . . . . 0.0 110.333 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 163.4 31.84 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.819 0.848 . . . . 0.0 112.618 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -96.84 -15.43 21.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.871 2.068 . . . . 0.0 114.05 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.74 164.32 24.47 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -64.88 147.48 89.38 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.522 2.814 . . . . 0.0 116.223 -168.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -54.0 -40.21 66.75 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.122 1.769 . . . . 0.0 111.769 164.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.95 -25.04 57.04 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.667 1.587 . . . . 0.0 114.232 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -91.57 -40.0 11.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.699 0.681 . . . . 0.0 111.708 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -59.97 -42.68 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.498 -0.751 . . . . 0.0 111.66 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.52 -31.89 73.19 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.825 0.739 . . . . 0.0 112.287 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.9 -21.39 54.98 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.479 1.112 . . . . 0.0 113.918 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -67.23 -54.33 21.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.881 1.219 . . . . 0.0 109.968 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.54 -37.05 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 122.992 0.517 . . . . 0.0 111.648 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -57.52 -35.14 69.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.373 -1.454 . . . . 0.0 112.289 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -88.57 1.65 54.53 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.167 1.387 . . . . 0.0 114.368 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -84.97 -27.77 26.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 112.3 167.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -25.29 18.99 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.12 132.15 49.62 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.732 1.266 . . . . 0.0 109.818 168.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.67 132.12 48.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.699 0.681 . . . . 0.0 112.456 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.37 111.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -77.85 -33.8 52.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.198 0.599 . . . . 0.0 112.063 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -158.98 159.27 34.64 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.415 -0.803 . . . . 0.0 111.111 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.16 132.94 3.71 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 123.928 0.775 . . . . 0.0 112.5 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -146.83 153.86 40.66 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.667 1.223 . . . . 0.0 113.981 -173.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -105.35 139.36 40.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.086 1.754 . . . . 0.0 108.716 162.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.784 1.234 . . . . 0.0 111.553 -165.716 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.72 0.772 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -140.65 114.06 8.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 128.616 2.766 . . . . 0.0 108.878 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.65 144.23 51.16 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 124.17 0.988 . . . . 0.0 110.209 154.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.01 143.28 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.044 1.738 . . . . 0.0 109.51 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.85 127.38 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 126.042 1.737 . . . . 0.0 107.106 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -124.74 145.6 49.63 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.049 0.84 . . . . 0.0 110.254 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.97 44.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 119.057 -0.496 . . . . 0.0 110.148 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -139.01 102.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.888 1.675 . . . . 0.0 107.963 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -83.33 -3.96 57.99 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -158.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.29 11.78 16.76 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -171.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -41.03 -57.11 2.11 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -164.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m 71.52 -68.21 0.23 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.832 2.053 . . . . 0.0 112.547 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -94.99 -172.41 2.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 126.447 1.899 . . . . 0.0 115.57 -156.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.0 m -126.82 7.15 6.72 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.901 2.48 . . . . 0.0 112.978 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.01 -44.64 0.95 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.276 1.83 . . . . 0.0 111.171 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.79 -19.91 62.64 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -59.96 -44.97 94.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 124.998 1.319 . . . . 0.0 111.348 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -13.6 62.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.419 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -59.34 -28.3 66.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.089 1.313 . . . . 0.0 111.061 167.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.71 -45.2 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.344 0.974 . . . . 0.0 109.932 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.62 -45.15 91.59 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.383 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -50.68 -40.37 53.57 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.151 1.341 . . . . 0.0 113.368 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -79.84 -47.87 14.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.934 0.788 . . . . 0.0 112.522 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.99 -41.18 99.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.601 1.091 . . . . 0.0 112.308 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -65.41 -9.42 25.02 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.33 1.09 54.27 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.21 1.404 . . . . 0.0 113.606 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.8 mt -95.41 124.7 39.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.659 1.184 . . . . 0.0 111.536 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -63.44 112.79 2.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.156 0.982 . . . . 0.0 110.616 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.18 -31.55 4.02 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.118 1.818 . . . . 0.0 114.624 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.38 126.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.899 1.35 . . . . 0.0 110.347 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -101.83 -24.6 14.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.185 0.994 . . . . 0.0 113.068 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -160.81 144.2 13.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.48 1.512 . . . . 0.0 110.554 167.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -143.28 142.97 31.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.246 1.019 . . . . 0.0 111.635 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -162.08 -173.23 3.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.608 1.563 . . . . 0.0 110.447 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.33 167.71 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.953 2.101 . . . . 0.0 111.528 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 72.4 m -157.28 160.67 38.81 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.334 1.853 . . . . 0.0 110.09 172.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.89 32.86 5.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.067 1.347 . . . . 0.0 112.005 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.65 -45.91 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.61 1.164 . . . . 0.0 109.797 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.7 p -120.1 8.8 11.01 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.27 1.428 . . . . 0.0 112.13 162.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 66.47 75.15 0.33 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.687 2.395 . . . . 0.0 109.426 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.56 147.8 48.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.871 1.669 . . . . 0.0 112.901 -165.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 p -105.09 139.54 39.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 167.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -117.92 92.66 3.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.888 1.675 . . . . 0.0 108.191 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.33 142.58 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 112.286 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.8 m -138.04 139.35 39.54 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 126.258 1.823 . . . . 0.0 108.442 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -153.62 153.18 31.83 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 123.427 1.584 . . . . 0.0 110.935 -166.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -103.75 162.94 12.67 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.41 -1.723 . . . . 0.0 109.784 147.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.318 0.0 OUTLIER 99.64 155.11 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 130.481 3.512 . . . . 0.0 112.674 -177.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.75 34.33 0.06 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.203 2.201 . . . . 0.0 114.864 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.46 153.65 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.157 -1.589 . . . . 0.0 111.271 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -120.34 147.17 45.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.715 2.006 . . . . 0.0 111.623 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.73 54.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.774 1.23 . . . . 0.0 114.081 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.484 1.114 . . . . 0.0 113.245 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.8 m -71.5 -37.24 71.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.867 0.467 . . . . 0.0 110.858 167.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' B' ' 57' ' ' GLU . 46.8 mt -66.71 -39.63 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.377 0.671 . . . . 0.0 109.857 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -65.95 32.49 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.994 2.117 . . . . 0.0 114.338 166.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' B' ' 55' ' ' ILE . 31.4 tt0 -151.6 -42.83 0.11 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.337 2.655 . . . . 0.0 109.086 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mm -51.22 -52.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.186 0.994 . . . . 0.0 111.517 166.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.5 -23.14 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.269 1.028 . . . . 0.0 111.555 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.78 -32.44 59.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.8 -0.562 . . . . 0.0 112.178 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.43 -15.61 56.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.891 0.877 . . . . 0.0 112.778 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -70.46 -11.72 61.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.894 164.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.52 17.41 31.23 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-O 118.662 -1.076 . . . . 0.0 114.921 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -121.28 -163.52 1.05 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.887 1.343 . . . . 0.0 111.478 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.38 149.4 24.13 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.92 2.088 . . . . 0.0 109.071 -174.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.16 155.32 9.55 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -151.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -151.91 140.46 20.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.873 2.069 . . . . 0.0 108.879 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 12.2 tt -55.62 128.09 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.907 0.86 . . . . 0.0 111.871 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 tp -95.28 -54.16 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.785 1.234 . . . . 0.0 107.977 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -151.83 141.31 21.62 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.141 1.777 . . . . 0.0 111.621 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.86 32.52 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.432 3.093 . . . . 0.0 114.257 166.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.255 1.349 0 C-N-CA 129.311 3.045 . . . . 0.0 110.4 -157.802 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 120.688 0.28 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.89 129.72 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.208 1.003 . . . . 0.0 112.095 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -114.23 160.06 19.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.944 2.098 . . . . 0.0 112.624 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -108.98 135.47 50.11 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.426 1.49 . . . . 0.0 113.258 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -130.41 152.95 49.25 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.682 1.593 . . . . 0.0 111.368 168.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -147.05 126.46 13.15 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.335 -0.853 . . . . 0.0 111.383 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.26 147.88 49.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.78 1.632 . . . . 0.0 111.397 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -99.81 123.36 43.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.687 1.195 . . . . 0.0 108.992 162.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -123.32 135.67 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.977 1.311 . . . . 0.0 109.621 -172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.14 116.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.15 0.98 . . . . 0.0 109.812 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.1 mtm -137.96 125.05 21.47 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.661 1.184 . . . . 0.0 110.756 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -75.3 -45.83 37.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.794 1.238 . . . . 0.0 112.053 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -147.61 179.2 7.86 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -169.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -57.54 -24.42 55.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.741 1.616 . . . . 0.0 114.175 172.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.19 -28.45 56.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.398 -0.814 . . . . 0.0 112.21 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.16 -50.91 35.65 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.375 1.088 . . . . 0.0 111.016 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 p -67.98 -18.68 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.35 9.46 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.081 0.848 . . . . 0.0 111.509 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.22 81.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.7 0.8 . . . . 0.0 112.254 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.93 -45.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.27 0.628 . . . . 0.0 110.934 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -60.38 -37.79 81.87 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.013 0.824 . . . . 0.0 112.859 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -62.07 -45.0 95.46 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.469 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 t -65.14 -49.82 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 119.232 0.924 . . . . 0.0 111.817 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.71 -39.63 89.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.044 0.838 . . . . 0.0 112.383 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.7 m -60.91 -30.91 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.61 0.764 . . . . 0.0 112.234 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -60.56 -17.52 46.62 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.635 -1.29 . . . . 0.0 113.606 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -97.97 7.34 46.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.506 1.523 . . . . 0.0 114.23 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.66 -24.46 0.97 Allowed Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -59.08 -18.2 42.34 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 CA-C-N 121.874 1.705 . . . . 0.0 114.226 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -133.25 -18.5 2.26 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.022 1.329 . . . . 0.0 114.57 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -87.23 138.33 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.146 1.778 . . . . 0.0 109.923 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 p -114.81 -14.53 11.95 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -149.33 139.37 22.08 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.312 0.96 . . . . 0.0 112.824 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.8 mt -129.98 142.74 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.42 1.888 . . . . 0.0 108.627 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.18 110.32 5.0 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.372 -0.83 . . . . 0.0 112.244 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.84 144.97 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.78 1.232 . . . . 0.0 110.146 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 p -142.35 137.41 30.48 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.736 -1.227 . . . . 0.0 112.407 168.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.29 -50.44 7.85 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.49 -0.756 . . . . 0.0 110.931 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.46 -45.51 84.69 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.848 0.749 . . . . 0.0 111.792 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -96.57 0.9 50.72 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 59.91 19.78 8.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.127 2.171 . . . . 0.0 115.676 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.3 mt -94.69 149.08 21.61 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.401 1.096 . . . . 0.0 113.415 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.1 111.59 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.36 2.264 . . . . 0.0 107.875 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -106.75 130.21 54.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.16 1.384 . . . . 0.0 110.606 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.12 139.37 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.985 0.914 . . . . 0.0 111.291 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -125.46 124.96 42.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.195 1.398 . . . . 0.0 110.554 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -163.89 162.95 23.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.025 0.93 . . . . 0.0 112.842 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -86.0 -13.9 46.17 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.013 1.725 . . . . 0.0 113.351 163.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.41 145.17 97.35 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 119.819 1.19 . . . . 0.0 112.289 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.04 144.55 99.46 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.292 2.661 . . . . 0.0 113.026 173.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.77 -42.1 75.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.043 0.937 . . . . 0.0 112.198 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.12 -26.02 68.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.263 1.825 . . . . 0.0 113.29 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -81.34 -44.34 17.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.498 1.119 . . . . 0.0 110.913 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.67 -42.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -33.04 74.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.922 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.49 -29.54 64.94 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.398 1.454 . . . . 0.0 112.714 171.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -70.48 -43.2 70.26 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.418 -1.426 . . . . 0.0 112.084 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.89 -49.82 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.304 1.042 . . . . 0.0 110.468 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.09 -37.45 85.09 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.33 -0.856 . . . . 0.0 112.395 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.86 -14.3 21.12 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -77.47 -16.52 58.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.775 1.17 . . . . 0.0 113.497 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.7 -16.05 43.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.386 1.469 . . . . 0.0 114.78 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -78.39 137.06 37.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.718 1.207 . . . . 0.0 111.196 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 161.48 30.9 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -113.98 136.98 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.955 1.702 . . . . 0.0 110.612 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.83 -37.3 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.417 1.087 . . . . 0.0 112.383 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.1 p -151.64 154.4 36.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.366 1.066 . . . . 0.0 111.528 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.16 127.12 2.32 Favored Glycine 0 N--CA 1.465 0.606 0 C-N-CA 124.357 0.98 . . . . 0.0 111.531 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -131.41 148.31 52.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.921 1.288 . . . . 0.0 112.139 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -117.16 131.56 56.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.426 2.69 . . . . 0.0 109.684 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.257 1.462 0 C-N-CA 124.86 1.264 . . . . 0.0 113.157 -169.392 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 179.85 147.81 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.419 3.087 . . . . 0.0 107.029 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.16 157.02 47.6 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 126.632 1.973 . . . . 0.0 110.352 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -159.03 142.17 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.476 1.11 . . . . 0.0 111.081 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mm -114.17 125.3 71.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.988 1.315 . . . . 0.0 107.843 170.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.18 144.29 40.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.665 0.666 . . . . 0.0 110.628 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.7 136.01 39.09 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 158.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.06 96.94 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -69.92 -22.55 63.19 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -152.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.8 -11.19 47.65 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-O 118.134 -1.37 . . . . 0.0 116.315 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm -85.16 140.39 30.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.033 1.917 . . . . 0.0 113.585 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -157.06 -17.47 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.17 1.388 . . . . 0.0 114.288 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.405 ' HB3' ' SG ' ' B' ' 16' ' ' CYS . 39.6 t -94.04 152.43 18.8 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.937 1.695 . . . . 0.0 114.215 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 18.2 m -73.94 -2.88 25.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.646 1.578 . . . . 0.0 113.859 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.01 -46.83 4.54 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.713 1.142 . . . . 0.0 112.153 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' B' ' 13' ' ' CYS . 82.4 m -56.87 -32.1 65.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.586 1.554 . . . . 0.0 113.385 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -77.16 -35.28 56.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.489 1.516 . . . . 0.0 113.303 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -25.54 67.25 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.48 1.036 . . . . 0.0 112.027 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -47.53 -42.66 23.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.491 1.516 . . . . 0.0 111.51 172.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 122.867 0.467 . . . . 0.0 110.431 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.37 -48.99 73.39 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.67 -0.644 . . . . 0.0 111.874 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 57.8 m -55.07 -36.72 65.91 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.283 1.433 . . . . 0.0 113.359 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -45.18 18.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.354 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.93 -41.39 36.51 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.68 1.127 . . . . 0.0 113.656 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.2 -24.01 66.96 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.805 1.184 . . . . 0.0 112.879 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.1 45.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 113.914 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.08 164.84 12.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.68 1.592 . . . . 0.0 112.596 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -67.9 162.23 24.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.56 1.144 . . . . 0.0 112.66 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -46.61 1.84 Allowed Glycine 0 N--CA 1.478 1.444 0 O-C-N 120.184 -1.572 . . . . 0.0 114.876 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.53 130.29 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 127.187 2.195 . . . . 0.0 111.16 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.6 p -126.69 -29.78 2.85 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.59 119.64 5.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.859 0.864 . . . . 0.0 111.029 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 73.1 m -109.38 128.05 54.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.811 1.244 . . . . 0.0 110.925 169.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -142.55 172.82 12.18 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.688 1.595 . . . . 0.0 109.894 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.29 158.93 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.637 1.975 . . . . 0.0 111.627 -171.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.0 m -124.59 130.76 53.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.438 0.695 . . . . 0.0 110.688 157.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.4 -38.26 26.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.658 1.183 . . . . 0.0 114.131 -163.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -74.81 -35.66 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-N 119.242 0.928 . . . . 0.0 111.665 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.1 p -90.06 -11.39 41.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.231 1.413 . . . . 0.0 113.573 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 69.47 37.39 2.0 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.133 1.773 . . . . 0.0 111.912 173.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.81 140.81 48.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.327 1.051 . . . . 0.0 112.729 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.01 133.46 48.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.208 1.403 . . . . 0.0 110.151 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -121.91 102.78 8.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.532 1.533 . . . . 0.0 107.652 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.8 142.21 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 0.0 112.315 -170.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -122.82 133.11 54.46 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 127.257 2.223 . . . . 0.0 108.085 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -153.47 -144.6 0.15 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 111.961 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.86 159.01 9.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.461 2.704 . . . . 0.0 111.113 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.12 18.9 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.96 2.104 . . . . 0.0 115.129 -168.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.12 -18.19 53.69 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.088 0.955 . . . . 0.0 111.696 156.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.47 151.72 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.256 1.822 . . . . 0.0 109.398 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -114.56 143.4 45.05 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.132 0.973 . . . . 0.0 113.194 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.0 -25.11 57.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.236 1.014 . . . . 0.0 113.505 169.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -70.03 -17.58 63.27 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.765 1.226 . . . . 0.0 113.49 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -92.52 -32.58 14.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.714 0.806 . . . . 0.0 111.584 166.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -58.67 -39.51 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.883 -1.136 . . . . 0.0 110.404 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -69.61 13.99 0.12 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 126.425 1.89 . . . . 0.0 114.601 172.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -123.02 -46.54 2.08 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.514 1.926 . . . . 0.0 109.56 164.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.46 -46.16 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.65 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mt -68.5 -27.59 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.55 0.74 . . . . 0.0 111.925 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.3 -30.06 25.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.912 172.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -70.09 -16.99 63.2 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 112.951 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.9 m -67.3 -29.46 69.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.746 1.218 . . . . 0.0 112.755 163.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.39 23.85 4.32 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.898 1.713 . . . . 0.0 115.754 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -115.81 -154.93 0.56 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.508 1.654 . . . . 0.0 110.724 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.51 146.68 15.24 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.137 1.775 . . . . 0.0 109.26 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -157.46 169.58 24.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -155.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.53 144.57 12.33 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.807 2.043 . . . . 0.0 109.225 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.09 107.3 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.413 0.625 . . . . 0.0 110.002 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tp -83.76 -47.13 11.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.656 1.583 . . . . 0.0 109.029 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . 0.457 ' C ' ' H ' ' B' ' 72' ' ' SER . 43.0 mtp85 -141.32 143.19 33.91 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.926 1.691 . . . . 0.0 108.441 166.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -69.94 22.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 159.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.457 ' H ' ' C ' ' B' ' 70' ' ' ARG . 56.4 m . . . . . 0 C--O 1.256 1.431 0 C-N-CA 128.593 2.757 . . . . 0.0 111.797 -168.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 121.066 0.46 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.89 143.92 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.281 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 147.49 40.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.861 2.064 . . . . 0.0 110.558 170.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.88 130.73 39.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.633 1.173 . . . . 0.0 110.896 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -127.79 154.32 45.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.94 1.296 . . . . 0.0 111.546 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -138.82 134.82 33.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 110.64 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -135.83 153.35 51.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.962 1.705 . . . . 0.0 112.248 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -109.89 119.58 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.373 1.469 . . . . 0.0 111.012 169.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.87 144.32 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.574 1.149 . . . . 0.0 110.905 -166.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -88.9 90.22 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.567 1.147 . . . . 0.0 109.229 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -87.3 -40.24 14.66 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.658 1.183 . . . . 0.0 113.185 -168.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m 71.41 -27.38 0.18 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 128.351 2.66 . . . . 0.0 114.264 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -133.95 159.59 40.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.786 2.834 . . . . 0.0 110.676 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -77.89 -19.93 53.86 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.934 -1.104 . . . . 0.0 113.249 174.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.34 -19.86 77.82 Favored Glycine 0 N--CA 1.473 1.133 0 CA-C-N 119.023 0.829 . . . . 0.0 113.16 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 t -47.47 -37.96 12.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.582 1.953 . . . . 0.0 113.239 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -58.54 -28.47 65.51 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.31 -34.24 26.58 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.042 0.837 . . . . 0.0 112.909 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.96 21.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.806 1.243 . . . . 0.0 112.783 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.97 -46.7 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.66 0.784 . . . . 0.0 109.916 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -53.32 -54.08 41.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.274 0.63 . . . . 0.0 111.411 171.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -57.54 -31.82 66.47 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.13 -41.47 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.496 1.498 . . . . 0.0 111.6 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.73 -32.87 23.25 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -59.76 -20.89 59.44 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.362 1.437 . . . . 0.0 114.053 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -52.64 -21.69 4.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.308 1.043 . . . . 0.0 113.247 171.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.45 37.14 3.66 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.748 2.019 . . . . 0.0 112.871 -167.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -50.54 -33.82 9.67 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -70.78 -10.27 27.42 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.335 2.023 . . . . 0.0 114.062 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -119.66 -32.01 4.4 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.637 1.575 . . . . 0.0 112.769 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.72 129.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 126.667 1.987 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.7 p -100.17 -33.72 10.33 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -157.13 143.03 17.74 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.91 137.0 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.824 1.65 . . . . 0.0 108.593 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -136.26 131.54 34.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.733 1.213 . . . . 0.0 111.529 172.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.47 130.44 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.775 1.23 . . . . 0.0 109.827 -171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.4 m -120.46 116.7 25.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.081 0.952 . . . . 0.0 111.522 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.84 155.87 27.64 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.955 0.902 . . . . 0.0 111.951 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 78.08 -46.9 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.37 3.068 . . . . 0.0 111.04 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -73.14 -16.19 61.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.715 1.206 . . . . 0.0 112.538 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 49.65 35.94 9.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.171 2.588 . . . . 0.0 115.193 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 mt -96.04 152.49 18.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.029 1.331 . . . . 0.0 112.297 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.3 t -131.52 129.77 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.816 1.647 . . . . 0.0 108.953 169.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.69 133.23 53.37 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.532 1.933 . . . . 0.0 109.096 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.11 147.1 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.584 1.154 . . . . 0.0 111.633 -170.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.15 125.47 33.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.807 1.643 . . . . 0.0 111.985 166.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -168.49 157.18 8.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.246 1.418 . . . . 0.0 112.278 -173.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.2 p -77.87 -17.13 57.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.96 1.304 . . . . 0.0 113.275 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.98 154.76 93.25 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.448 1.099 . . . . 0.0 112.757 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -64.76 157.83 54.0 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.974 3.116 . . . . 0.0 114.016 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -55.1 -51.68 65.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.754 1.221 . . . . 0.0 112.89 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.49 -31.27 71.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.097 0.959 . . . . 0.0 112.73 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.91 -36.66 83.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 110.915 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.4 -36.29 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.026 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.18 -46.43 72.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.244 1.384 . . . . 0.0 110.764 169.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.85 -51.93 67.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 118.016 -0.993 . . . . 0.0 112.709 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.2 -22.96 61.95 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.189 1.359 . . . . 0.0 114.155 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.04 -57.53 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.577 1.08 . . . . 0.0 109.201 161.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.91 -29.17 70.37 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 113.721 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -57.07 -25.15 58.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.2 p -60.08 -20.07 56.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.064 1.346 . . . . 0.0 113.866 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.76 72.42 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.931 1.729 . . . . 0.0 113.322 -168.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -77.11 145.39 37.84 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.64 1.22 . . . . 0.0 111.305 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 165.18 19.77 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.79 1.236 . . . . 0.0 110.63 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.22 130.14 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.811 1.244 . . . . 0.0 111.127 -173.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -95.17 -41.83 8.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -160.81 165.2 30.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.776 0.83 . . . . 0.0 111.558 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.1 163.23 12.81 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 115.325 0.89 . . . . 0.0 115.325 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -159.71 164.07 34.23 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.563 1.145 . . . . 0.0 113.839 -171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -71.05 147.97 48.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.413 1.085 . . . . 0.0 109.879 157.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--O 1.251 1.153 0 C-N-CA 124.791 1.237 . . . . 0.0 112.422 179.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.146 0.498 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -80.94 80.98 7.32 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.44 2.296 . . . . 0.0 112.368 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.17 128.89 37.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.604 1.162 . . . . 0.0 109.413 163.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 83.0 t -142.98 142.8 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.168 1.787 . . . . 0.0 108.963 -174.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.19 121.69 60.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.78 150.26 22.03 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.421 0.688 . . . . 0.0 109.371 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.62 138.73 33.22 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 157.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.8 118.6 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.678 1.991 . . . . 0.0 105.649 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -85.74 -57.2 3.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -159.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.42 52.37 4.65 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.693 1.14 . . . . 0.0 114.479 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptm -111.02 12.89 22.04 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -172.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -89.08 2.16 54.51 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -166.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 p -83.34 -113.73 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.546 1.138 . . . . 0.0 112.261 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.6 p -146.69 -95.24 0.09 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.14 70.35 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.943 1.297 . . . . 0.0 113.71 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.7 m -53.01 -28.17 22.82 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.681 1.592 . . . . 0.0 113.166 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -69.56 -41.5 75.81 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 121.224 -0.923 . . . . 0.0 112.196 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 117.455 -1.259 . . . . 0.0 110.178 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.9 m -57.58 -30.6 65.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.059 1.3 . . . . 0.0 111.761 173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.07 -54.31 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.527 1.058 . . . . 0.0 110.071 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -53.63 -50.92 64.66 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.876 0.762 . . . . 0.0 111.869 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -44.58 -48.92 10.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 113.051 171.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -84.15 -29.03 27.01 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.06 -44.33 9.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.63 1.104 . . . . 0.0 113.631 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.14 -19.94 65.64 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.442 1.474 . . . . 0.0 112.842 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.21 -10.66 60.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.744 1.618 . . . . 0.0 114.901 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -78.72 121.55 24.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.391 1.077 . . . . 0.0 111.191 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -58.46 111.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 110.946 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.86 -27.25 6.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.687 2.089 . . . . 0.0 113.945 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.35 139.25 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.402 1.601 . . . . 0.0 109.417 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -110.63 -37.26 5.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 118.186 -0.911 . . . . 0.0 113.085 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -147.23 157.28 43.54 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.79 1.236 . . . . 0.0 112.97 -167.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.8 m -158.05 127.51 5.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.21 1.804 . . . . 0.0 112.94 -170.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.23 174.81 13.8 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.181 1.793 . . . . 0.0 111.114 168.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.38 166.88 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.499 -1.375 . . . . 0.0 113.737 -167.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -138.89 103.01 4.7 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.035 1.334 . . . . 0.0 112.072 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.05 -26.74 66.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.0 -36.16 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.117 . . . . 0.0 111.398 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -100.73 -3.95 29.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.574 -176.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.451 0.0 OUTLIER 69.76 28.23 4.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.804 2.842 . . . . 0.0 114.756 177.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -106.39 154.77 20.32 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.561 1.544 . . . . 0.0 113.812 -171.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 89.2 m -129.47 128.16 42.34 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.432 1.493 . . . . 0.0 111.042 166.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -97.18 93.74 6.72 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.833 2.053 . . . . 0.0 107.935 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -106.02 150.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 125.639 1.576 . . . . 0.0 111.554 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -141.97 125.04 16.26 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.951 0.901 . . . . 0.0 109.577 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -150.23 -157.98 0.87 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.334 1.054 . . . . 0.0 111.778 -172.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -151.16 169.43 21.9 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 129.59 3.156 . . . . 0.0 111.074 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.52 -23.5 10.64 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.377 2.271 . . . . 0.0 116.51 -162.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.5 -12.6 61.68 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.602 1.561 . . . . 0.0 115.153 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -122.79 154.77 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.264 2.226 . . . . 0.0 108.956 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -152.04 146.42 25.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 111.484 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.94 58.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.896 1.278 . . . . 0.0 113.184 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.59 -32.83 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.151 0.98 . . . . 0.0 112.972 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -87.73 -34.62 18.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.011 0.524 . . . . 0.0 111.695 173.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.55 -38.85 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.084 -1.01 . . . . 0.0 110.145 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -56.13 -14.88 3.0 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.869 . . . . 0.0 115.109 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.62 -40.23 7.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.575 1.55 . . . . 0.0 109.755 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.51 -51.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.279 1.432 . . . . 0.0 111.682 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 7.0 tt -78.08 -27.14 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.646 0.779 . . . . 0.0 112.005 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -68.39 -36.32 78.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.482 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -2.87 54.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.1 -13.65 59.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.796 0.839 . . . . 0.0 112.936 159.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.78 12.28 30.57 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.446 1.498 . . . . 0.0 115.782 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -100.16 -162.38 0.94 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.089 1.445 . . . . 0.0 110.657 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -162.05 142.14 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.257 2.623 . . . . 0.0 105.23 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -168.03 176.66 6.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -146.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.71 157.88 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.389 1.876 . . . . 0.0 110.442 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 tt -78.86 113.65 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 166.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -60.64 2.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -158.55 138.55 12.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.981 1.312 . . . . 0.0 111.517 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -69.02 78.26 0.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.092 1.357 . . . . 0.0 109.415 147.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.566 1.946 . . . . 0.0 113.474 -179.726 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.81 131.04 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 122.125 0.965 . . . . 0.0 109.439 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -115.74 153.71 30.89 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.184 2.193 . . . . 0.0 110.346 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -124.82 140.73 52.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.458 1.103 . . . . 0.0 111.503 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -145.74 144.76 30.54 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 125.152 1.381 . . . . 0.0 110.718 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -131.49 127.64 37.72 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.676 1.19 . . . . 0.0 110.048 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -121.7 144.77 48.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.703 2.001 . . . . 0.0 110.127 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.84 126.21 51.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.411 1.085 . . . . 0.0 109.491 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 t -148.42 137.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.336 1.454 . . . . 0.0 109.165 -163.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.76 127.08 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.9 mtm -138.7 124.42 19.72 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.602 0.761 . . . . 0.0 111.373 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -97.47 -158.28 0.65 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.723 1.609 . . . . 0.0 109.977 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -84.04 -141.65 0.07 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.938 1.295 . . . . 0.0 114.089 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 m -57.8 -38.49 75.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.331 1.852 . . . . 0.0 115.671 -156.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 -38.76 25.76 Favored Glycine 0 N--CA 1.473 1.138 0 CA-C-N 120.083 1.31 . . . . 0.0 111.991 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.92 -49.28 76.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.672 0.789 . . . . 0.0 110.623 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -57.73 -40.59 79.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.559 1.144 . . . . 0.0 113.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.72 -27.66 64.59 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.217 0.913 . . . . 0.0 113.565 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.58 -52.58 10.27 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.478 1.139 . . . . 0.0 111.773 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.95 -35.11 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.003 1.321 . . . . 0.0 110.858 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.67 -62.55 1.45 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.958 0.503 . . . . 0.0 111.906 168.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -56.75 -40.9 76.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 t -69.79 -28.17 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.32 0.964 . . . . 0.0 111.314 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.15 -27.18 14.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -58.62 -28.29 65.51 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.394 1.907 . . . . 0.0 113.911 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.67 -20.57 34.66 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.862 1.265 . . . . 0.0 113.316 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -93.93 -3.14 52.18 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.163 1.385 . . . . 0.0 114.432 -175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -54.22 -28.38 3.7 Favored Pre-proline 0 N--CA 1.473 0.697 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.37 -24.58 69.06 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 122.189 1.818 . . . . 0.0 113.551 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -114.89 -25.4 8.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.129 1.372 . . . . 0.0 113.313 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.55 115.04 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.994 1.717 . . . . 0.0 109.812 176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -40.32 43.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.261 0.624 . . . . 0.0 112.297 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -152.11 119.81 6.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.7 mt -90.51 132.58 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.82 1.248 . . . . 0.0 108.712 157.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -128.33 114.0 16.32 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.363 1.065 . . . . 0.0 110.52 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.7 mt -98.57 124.96 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.268 1.427 . . . . 0.0 109.86 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -115.85 83.5 1.95 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.059 1.344 . . . . 0.0 110.47 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -55.19 -48.2 74.16 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.183 1.793 . . . . 0.0 112.722 -173.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -62.32 -48.57 79.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.421 1.089 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -66.8 -18.25 65.28 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.793 0.837 . . . . 0.0 113.199 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 72.25 21.19 3.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.606 2.362 . . . . 0.0 111.808 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.92 149.45 27.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 122.363 1.078 . . . . 0.0 113.029 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.39 129.64 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 113.386 -1.734 . . . . 0.0 108.204 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.9 127.28 45.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.977 1.311 . . . . 0.0 110.343 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.17 136.44 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.554 0.742 . . . . 0.0 111.33 -170.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -113.4 124.35 52.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.381 1.873 . . . . 0.0 111.282 167.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -168.12 165.28 13.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.462 1.105 . . . . 0.0 112.386 -173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -79.48 -19.87 48.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.932 1.693 . . . . 0.0 112.794 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.46 156.21 90.51 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.472 1.909 . . . . 0.0 112.482 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.35 158.62 14.88 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.553 2.836 . . . . 0.0 112.963 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -48.19 -49.88 31.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.559 1.943 . . . . 0.0 113.515 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.11 -35.23 80.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 112.611 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.36 -41.9 75.94 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.741 -0.599 . . . . 0.0 111.877 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.87 -45.78 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.906 0.882 . . . . 0.0 111.138 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.35 -32.93 74.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.474 -0.774 . . . . 0.0 112.401 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.46 -43.56 98.52 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.203 0.91 . . . . 0.0 112.535 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -67.89 -30.55 69.94 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.732 1.151 . . . . 0.0 113.049 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.11 -55.04 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.693 0.678 . . . . 0.0 110.168 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -57.08 -35.21 69.11 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.197 1.399 . . . . 0.0 112.703 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -54.08 -21.43 8.47 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.206 1.802 . . . . 0.0 114.753 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -65.04 -29.19 70.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.152 1.381 . . . . 0.0 114.538 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.74 1.41 56.34 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -93.29 161.08 14.54 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.996 1.398 . . . . 0.0 112.028 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.16 139.42 35.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.615 1.566 . . . . 0.0 112.121 -168.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -112.34 128.81 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.675 1.59 . . . . 0.0 108.63 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -105.09 -38.92 6.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -158.39 173.19 17.03 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.497 1.044 . . . . 0.0 112.404 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.12 162.93 20.01 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.832 1.093 . . . . 0.0 115.832 164.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -173.52 -173.34 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.597 1.959 . . . . 0.0 112.864 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 166.09 16.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.584 1.954 . . . . 0.0 113.083 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.063 1.745 . . . . 0.0 111.693 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -154.43 136.68 14.85 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.494 2.318 . . . . 0.0 107.812 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -96.18 161.79 13.81 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 127.071 2.148 . . . . 0.0 113.604 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.91 138.14 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.405 1.882 . . . . 0.0 109.221 168.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.7 mm -122.0 125.39 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.67 140.42 48.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.6 0.76 . . . . 0.0 110.901 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.55 118.25 30.44 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.58 105.65 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.84 1.256 . . . . 0.0 108.678 -169.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -70.5 -15.38 62.79 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -161.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.09 2.68 61.63 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.499 1.523 . . . . 0.0 115.343 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtm -71.82 150.85 43.93 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.745 1.773 . . . . 0.0 113.058 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -139.48 -54.82 0.57 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.338 1.455 . . . . 0.0 113.607 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -155.77 -100.98 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -154.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.9 p -158.41 141.6 14.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 128.472 2.709 . . . . 0.0 110.273 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 72.37 -52.22 0.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.95 2.5 . . . . 0.0 112.08 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -50.31 -22.09 1.66 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.669 2.387 . . . . 0.0 113.804 167.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -100.65 -41.73 6.81 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 128.048 2.539 . . . . 0.0 112.912 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -1.65 21.72 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.054 1.297 . . . . 0.0 113.126 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -48.17 -46.46 34.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.024 1.33 . . . . 0.0 110.9 153.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.12 -48.35 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.851 0.861 . . . . 0.0 110.187 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -55.15 -51.03 67.79 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.091 0.859 . . . . 0.0 111.663 170.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 51.9 m -52.7 -39.06 61.62 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.399 1.08 . . . . 0.0 112.79 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -85.84 -50.14 7.36 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.3 -44.0 72.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.503 1.047 . . . . 0.0 112.374 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -26.76 68.05 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.678 1.126 . . . . 0.0 112.187 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.96 -10.95 59.96 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -72.72 127.31 32.18 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.356 0.98 . . . . 0.0 110.393 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.65 108.33 0.38 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.2 -17.9 21.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.539 1.542 . . . . 0.0 115.06 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.76 134.48 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.631 1.716 . . . . 0.0 109.255 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -121.48 -31.23 4.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -147.33 143.74 28.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.229 1.411 . . . . 0.0 111.456 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 60.0 m -142.95 119.93 11.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.696 1.199 . . . . 0.0 111.768 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.44 168.43 12.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.692 1.997 . . . . 0.0 111.155 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.6 139.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.346 1.859 . . . . 0.0 113.203 -167.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 m -142.53 166.67 24.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.506 1.522 . . . . 0.0 112.232 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.32 29.84 7.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 112.81 -170.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -93.71 -54.96 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 120.982 -1.074 . . . . 0.0 109.568 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.03 -7.64 39.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.004 1.721 . . . . 0.0 110.996 161.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 70.34 50.72 0.4 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.532 2.333 . . . . 0.0 109.332 -163.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.44 139.63 30.53 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.685 1.594 . . . . 0.0 113.355 -170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -106.34 134.43 49.48 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.469 1.508 . . . . 0.0 109.913 166.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -115.72 95.56 5.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.766 1.626 . . . . 0.0 108.001 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.61 142.2 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.214 1.405 . . . . 0.0 111.113 -171.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 68.2 m -126.83 131.74 51.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.692 1.997 . . . . 0.0 108.444 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.15 -164.27 1.98 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.332 1.063 . . . . 0.0 110.955 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -171.25 167.89 6.84 Favored 'General case' 0 CA--C 1.546 0.791 1 C-N-CA 132.968 4.507 . . . . 0.0 108.784 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 84.53 158.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.906 2.882 . . . . 0.0 113.213 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -44.16 -26.71 0.33 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.356 3.062 . . . . 0.0 117.491 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 p -48.16 145.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 127.253 2.221 . . . . 0.0 112.947 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -112.46 146.86 37.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.06 1.744 . . . . 0.0 112.591 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.78 58.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.114 0.965 . . . . 0.0 112.574 170.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.61 -20.88 66.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.127 1.371 . . . . 0.0 112.899 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -83.93 -38.08 21.5 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.959 -1.088 . . . . 0.0 111.475 168.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.48 -39.01 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.274 -0.891 . . . . 0.0 109.997 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.33 -4.01 0.12 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 128.956 2.902 . . . . 0.0 115.644 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -126.08 -39.18 2.1 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.613 1.965 . . . . 0.0 110.154 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.75 -39.42 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.117 -0.99 . . . . 0.0 111.234 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 tp -61.52 -25.86 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.137 -0.977 . . . . 0.0 112.238 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.61 -26.8 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -73.74 -21.57 60.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.782 0.719 . . . . 0.0 112.911 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 58.9 m -74.67 -13.93 60.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.651 0.78 . . . . 0.0 112.685 164.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.55 25.59 15.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.573 1.082 . . . . 0.0 115.149 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -123.56 -155.04 0.64 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.201 1.401 . . . . 0.0 109.872 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -168.53 158.95 9.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.98 2.112 . . . . 0.0 110.78 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -150.36 -173.27 4.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.754 1.222 . . . . 0.0 112.409 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -133.54 25.66 4.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.752 0.821 . . . . 0.0 110.107 162.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . 0.488 ' CG2' ' H ' ' B' ' 69' ' ' LEU 0.34 41.8 mm 49.98 -155.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -147.069 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.488 ' H ' ' CG2' ' B' ' 68' ' ' ILE 0.274 0.1 OUTLIER -154.83 -43.25 0.09 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.123 1.369 . . . . 0.0 111.146 163.634 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -167.41 146.03 4.89 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 122.726 1.25 . . . . 0.0 111.537 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.08 28.46 0.51 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.519 2.327 . . . . 0.0 113.128 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.489 1.477 0 C-N-CA 130.26 3.424 . . . . 0.0 111.651 -173.147 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.9 mt 57.02 123.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 128.871 2.869 . . . . 0.0 112.838 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -96.43 149.94 21.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.698 -1.251 . . . . 0.0 110.884 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.71 138.16 44.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.844 1.258 . . . . 0.0 109.261 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -138.17 153.57 49.19 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 125.081 1.353 . . . . 0.0 110.706 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -143.79 133.87 24.23 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.972 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -126.65 142.02 51.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.121 1.368 . . . . 0.0 111.048 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.06 121.18 31.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.509 1.524 . . . . 0.0 108.718 167.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 135.82 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.204 1.002 . . . . 0.0 109.708 -165.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.14 119.77 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.271 0.628 . . . . 0.0 110.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -145.34 107.1 4.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.86 0.864 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.4 m -63.1 -56.81 13.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.641 0.776 . . . . 0.0 111.05 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.75 175.2 9.02 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.543 1.537 . . . . 0.0 113.591 -162.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.89 -5.79 40.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.364 -0.835 . . . . 0.0 112.449 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 -28.64 43.47 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.889 1.709 . . . . 0.0 112.771 166.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.39 -55.42 15.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.464 1.632 . . . . 0.0 110.362 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.22 -34.71 75.55 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -41.26 94.9 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.209 -0.773 . . . . 0.0 112.959 175.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.38 70.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.576 1.15 . . . . 0.0 111.777 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.9 -49.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.17 -43.81 87.64 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.744 -0.597 . . . . 0.0 112.326 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.01 -30.14 70.63 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.728 1.149 . . . . 0.0 113.725 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.62 -43.35 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.277 -0.889 . . . . 0.0 111.388 167.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.08 -21.96 29.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 p -59.39 -24.64 63.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.954 1.706 . . . . 0.0 112.774 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.61 -15.08 24.53 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.499 1.12 . . . . 0.0 113.483 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.9 mt -109.98 5.64 22.46 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.968 1.707 . . . . 0.0 114.555 -173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.09 -28.85 2.45 Favored Pre-proline 0 N--CA 1.477 0.889 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -62.06 -16.9 53.17 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 CA-C-N 121.849 1.696 . . . . 0.0 114.975 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.42 -31.62 2.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.165 1.386 . . . . 0.0 113.098 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.84 125.45 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.69 1.596 . . . . 0.0 109.25 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -91.82 -39.41 11.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -154.48 120.43 5.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.653 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.2 mt -108.3 136.93 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.013 1.325 . . . . 0.0 108.861 171.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -144.51 122.55 12.1 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.647 -0.658 . . . . 0.0 111.822 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -98.96 142.25 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.551 0.691 . . . . 0.0 111.066 -174.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -121.06 85.98 2.5 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.256 1.823 . . . . 0.0 108.495 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.64 -34.88 76.49 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.166 0.987 . . . . 0.0 113.656 -168.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.82 -49.5 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.038 0.835 . . . . 0.0 110.795 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.27 7.54 9.29 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.363 1.065 . . . . 0.0 113.785 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 56.06 37.04 28.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.735 1.614 . . . . 0.0 114.739 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.275 3.8 pp -130.93 158.53 39.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.88 129.87 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.79 1.636 . . . . 0.0 109.653 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.29 131.95 51.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.054 1.742 . . . . 0.0 111.184 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.2 141.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.956 1.303 . . . . 0.0 110.611 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.59 129.74 53.04 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.689 1.596 . . . . 0.0 109.693 163.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -169.34 161.14 9.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.091 0.956 . . . . 0.0 113.202 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.6 p -72.75 -27.26 61.92 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.406 2.282 . . . . 0.0 112.987 164.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.14 150.58 97.38 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.448 1.499 . . . . 0.0 113.062 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.71 153.71 30.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.31 2.673 . . . . 0.0 112.74 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -50.94 -46.48 60.98 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.95 1.7 . . . . 0.0 113.048 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.37 -44.83 92.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.44 1.496 . . . . 0.0 112.499 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.43 -31.42 69.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.865 0.466 . . . . 0.0 111.972 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.92 -43.31 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.568 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.14 -49.1 64.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.323 0.965 . . . . 0.0 110.825 171.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.8 -53.05 62.09 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.552 1.141 . . . . 0.0 112.913 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.67 -30.98 71.79 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.267 1.394 . . . . 0.0 113.344 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.51 -56.23 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.429 1.013 . . . . 0.0 109.7 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -60.94 -32.37 71.89 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -53.16 -24.16 9.98 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 172.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.6 p -63.87 -23.01 67.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.15 87.15 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.906 1.241 . . . . 0.0 113.928 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -87.36 143.83 27.06 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.269 1.035 . . . . 0.0 109.86 162.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -84.8 142.87 29.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.831 0.853 . . . . 0.0 112.018 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.14 126.62 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.679 1.192 . . . . 0.0 109.571 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 mtp-105 -93.26 -42.91 9.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.503 1.121 . . . . 0.0 112.633 -171.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 p -165.41 167.9 17.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.82 1.248 . . . . 0.0 111.824 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.79 159.94 23.96 Favored Glycine 0 C--N 1.343 0.917 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -135.27 160.21 39.12 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 113.71 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -93.21 127.46 38.79 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.375 1.47 . . . . 0.0 109.476 163.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.249 1.078 0 C-N-CA 125.194 1.398 . . . . 0.0 112.304 -168.359 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -173.31 159.99 3.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.301 2.24 . . . . 0.0 106.889 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -134.61 153.33 52.02 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 127.099 2.16 . . . . 0.0 110.566 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -169.74 130.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 110.917 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -107.76 124.08 63.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 163.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -116.91 142.25 47.19 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.588 0.755 . . . . 0.0 110.335 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 142.98 40.07 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.44 98.48 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -76.58 -6.39 51.73 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -155.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.71 4.03 29.16 Favored Glycine 0 N--CA 1.469 0.838 0 CA-C-O 118.197 -1.335 . . . . 0.0 115.632 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.94 136.95 36.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.197 1.998 . . . . 0.0 112.573 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.5 m -140.54 -39.25 0.43 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 111.674 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -114.07 164.13 14.24 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -163.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.4 m -78.77 2.29 20.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.295 1.438 . . . . 0.0 114.131 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.04 -59.62 1.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.165 0.893 . . . . 0.0 110.791 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.97 -18.28 62.63 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -170.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -67.91 -51.99 41.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.771 1.229 . . . . 0.0 111.616 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -19.68 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.846 1.203 . . . . 0.0 112.089 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -56.78 -35.22 68.44 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.235 0.925 . . . . 0.0 110.785 166.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.15 -53.61 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.399 1.0 . . . . 0.0 109.571 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -55.6 -46.81 77.26 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.173 0.897 . . . . 0.0 112.987 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -59.63 -41.77 91.22 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.557 1.072 . . . . 0.0 112.913 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.55 -31.13 62.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.973 1.26 . . . . 0.0 112.964 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.73 -45.02 69.11 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.738 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -49.42 -26.42 3.27 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.86 55.05 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.77 7.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 -167.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt 43.46 25.45 0.08 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.369 2.667 . . . . 0.0 116.61 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.19 -21.66 0.17 Allowed Glycine 0 N--CA 1.472 1.059 0 C-N-CA 125.165 1.364 . . . . 0.0 116.138 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -77.64 136.03 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.784 1.792 . . . . 0.0 109.254 172.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -110.46 -30.26 7.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.212 1.405 . . . . 0.0 112.398 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -157.34 147.37 20.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.283 1.833 . . . . 0.0 109.84 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.86 148.94 28.42 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.7 172.24 13.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.084 1.754 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -143.25 144.4 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 127.326 2.25 . . . . 0.0 109.113 -172.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 42.6 m -129.48 115.7 17.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.02 0.528 . . . . 0.0 110.573 162.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.14 -32.94 67.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.265 1.426 . . . . 0.0 114.432 -173.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.99 -37.0 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.087 0.858 . . . . 0.0 111.037 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.2 p -87.14 -19.86 27.88 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.565 1.546 . . . . 0.0 112.715 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.73 37.22 0.31 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.851 2.46 . . . . 0.0 112.23 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -118.6 152.22 36.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.708 1.603 . . . . 0.0 113.605 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 80.4 m -113.52 133.71 55.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.492 1.517 . . . . 0.0 110.026 166.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -114.45 94.24 4.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.142 1.777 . . . . 0.0 108.348 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.0 132.67 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.752 1.621 . . . . 0.0 111.547 -165.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 83.4 m -128.61 115.79 18.62 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.81 1.644 . . . . 0.0 108.136 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -135.06 -157.01 0.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.084 1.354 . . . . 0.0 112.309 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.58 163.39 19.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.294 2.238 . . . . 0.0 112.193 -160.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -6.42 2.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.413 2.285 . . . . 0.0 116.269 -165.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.31 -4.72 54.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.464 1.105 . . . . 0.0 113.091 168.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -149.05 163.29 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.496 1.498 . . . . 0.0 112.129 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.6 p -127.98 152.87 47.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.768 1.627 . . . . 0.0 112.238 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.29 69.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.73 0.812 . . . . 0.0 112.767 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.58 -35.09 78.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.72 0.808 . . . . 0.0 111.46 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 63.0 m -69.75 -39.52 76.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.835 0.854 . . . . 0.0 111.786 171.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.81 -44.78 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.554 -0.716 . . . . 0.0 109.792 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.87 11.81 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.257 2.223 . . . . 0.0 115.147 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -134.75 -42.53 0.75 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.275 1.83 . . . . 0.0 109.188 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 mm -53.32 -46.72 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.844 1.258 . . . . 0.0 112.251 165.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.81 -25.7 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.037 0.935 . . . . 0.0 112.194 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -74.25 -36.55 63.87 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -78.19 -0.8 29.85 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 170.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 95.8 m -85.0 -12.66 52.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.873 0.869 . . . . 0.0 113.219 166.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.95 22.46 9.33 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.42 -160.24 0.82 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.076 1.35 . . . . 0.0 111.18 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -154.67 154.64 33.26 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 129.154 2.982 . . . . 0.0 107.911 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.45 170.13 23.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -156.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -155.4 144.02 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.183 1.393 . . . . 0.0 109.312 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 tt -77.41 103.58 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -53.53 5.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.341 1.857 . . . . 0.0 110.078 -158.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -151.74 136.25 16.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.483 1.913 . . . . 0.0 108.138 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.06 15.0 0.6 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.485 1.317 0 C-N-CA 127.671 2.389 . . . . 0.0 114.051 -171.359 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -69.8 129.24 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.675 0.75 . . . . 0.0 110.542 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -106.54 153.46 22.29 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.271 2.228 . . . . 0.0 111.184 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.96 134.79 48.51 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 111.548 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -128.32 146.87 50.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.968 1.307 . . . . 0.0 110.859 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -136.41 131.1 33.7 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.821 0.849 . . . . 0.0 111.183 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -127.84 142.01 51.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.405 1.482 . . . . 0.0 110.94 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -105.67 122.69 46.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.675 1.59 . . . . 0.0 108.196 168.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.71 144.08 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.388 0.994 . . . . 0.0 111.044 -159.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.46 120.76 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.0 0.92 . . . . 0.0 109.988 171.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.84 97.45 2.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.418 1.087 . . . . 0.0 111.359 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -64.7 -41.67 95.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.189 1.796 . . . . 0.0 113.809 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -157.91 178.03 10.68 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.205 1.402 . . . . 0.0 113.621 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -66.41 -12.31 56.38 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.103 0.961 . . . . 0.0 113.519 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.26 -30.64 10.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.772 1.653 . . . . 0.0 112.797 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -64.36 -52.07 60.16 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.288 1.035 . . . . 0.0 110.751 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -60.09 -39.65 86.87 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.727 -0.608 . . . . 0.0 112.045 171.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.03 95.75 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.033 0.833 . . . . 0.0 113.521 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -46.08 69.37 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.069 0.934 . . . . 0.0 112.025 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -58.84 -44.65 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.678 -0.639 . . . . 0.0 110.498 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.51 -37.19 75.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.582 1.153 . . . . 0.0 112.586 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.99 -30.01 71.27 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.005 -1.06 . . . . 0.0 112.964 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 t -71.29 -56.72 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.194 0.906 . . . . 0.0 110.98 169.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.93 -29.56 69.46 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -62.91 -18.62 63.28 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.606 1.162 . . . . 0.0 113.874 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.15 -10.52 54.78 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.868 -1.145 . . . . 0.0 113.415 172.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.96 6.62 31.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.339 1.456 . . . . 0.0 113.68 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -54.44 -21.93 0.65 Allowed Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -62.74 -21.17 72.77 Favored 'Trans proline' 0 C--N 1.353 0.796 0 CA-C-N 122.768 2.024 . . . . 0.0 113.582 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -122.68 -29.71 3.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.411 1.484 . . . . 0.0 113.055 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.96 120.31 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.791 1.637 . . . . 0.0 109.626 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -83.04 -41.93 18.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -151.15 131.22 13.45 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.76 138.4 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.345 2.258 . . . . 0.0 110.003 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -142.83 110.47 5.82 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.099 0.959 . . . . 0.0 112.098 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.74 129.01 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.386 1.474 . . . . 0.0 110.509 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -120.44 100.01 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.221 1.408 . . . . 0.0 112.308 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.57 148.87 38.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.96 1.304 . . . . 0.0 110.791 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 75.27 -41.86 0.46 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.954 2.502 . . . . 0.0 110.876 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.76 -30.02 68.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.863 1.665 . . . . 0.0 112.763 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 79.89 8.96 1.5 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.363 2.665 . . . . 0.0 113.572 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.72 154.65 18.14 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.116 -0.99 . . . . 0.0 113.427 -169.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.39 132.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.395 1.878 . . . . 0.0 108.884 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.76 129.13 54.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.799 1.64 . . . . 0.0 110.421 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -130.51 143.63 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.633 1.173 . . . . 0.0 111.266 -173.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.02 129.64 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.448 1.499 . . . . 0.0 111.578 166.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 t -170.12 163.76 9.18 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.508 1.123 . . . . 0.0 112.827 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.9 p -86.37 -13.47 46.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.462 1.905 . . . . 0.0 113.335 167.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.81 150.43 96.38 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.026 0.93 . . . . 0.0 112.983 -172.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.75 143.24 81.2 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.668 2.912 . . . . 0.0 112.82 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.0 -45.92 90.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.97 0.908 . . . . 0.0 112.328 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.57 -29.67 70.69 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -67.83 -38.26 82.99 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.483 0.583 . . . . 0.0 111.139 174.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.37 -41.27 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.445 -0.785 . . . . 0.0 111.493 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.13 -49.5 75.74 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.089 0.858 . . . . 0.0 110.913 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.53 -39.46 87.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.898 0.879 . . . . 0.0 112.908 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -68.61 -27.49 66.08 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.042 -1.037 . . . . 0.0 112.876 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -81.99 -55.98 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.453 1.101 . . . . 0.0 110.88 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.25 -41.94 72.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.93 1.292 . . . . 0.0 112.528 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.02 8.57 3.7 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -74.13 -13.13 60.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 167.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -0.6 78.46 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.464 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.58 151.49 19.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.527 1.164 . . . . 0.0 109.319 162.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -93.29 140.89 29.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.782 -0.574 . . . . 0.0 111.976 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 p -94.11 110.42 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.662 1.185 . . . . 0.0 108.327 169.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.0 -37.31 86.95 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.6 1.96 . . . . 0.0 111.497 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -169.7 144.69 2.93 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.287 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.44 144.32 15.18 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 125.585 1.564 . . . . 0.0 112.883 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -144.86 147.53 32.91 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.96 126.51 34.76 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 126.207 1.803 . . . . 0.0 109.76 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.001 1.32 . . . . 0.0 111.951 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.443 0.163 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.17 89.58 1.52 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 127.692 2.397 . . . . 0.0 109.601 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.62 140.73 56.13 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.667 1.187 . . . . 0.0 110.392 163.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 85.2 t -153.95 133.77 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.229 2.212 . . . . 0.0 108.662 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.6 mm -119.39 128.44 75.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 124.811 1.245 . . . . 0.0 107.859 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.0 145.01 50.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.156 0.583 . . . . 0.0 111.07 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.57 148.13 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.349 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 t -137.55 110.07 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.96 1.304 . . . . 0.0 109.361 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -99.82 70.38 1.62 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.94 1.296 . . . . 0.0 112.458 -168.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.44 37.26 0.03 OUTLIER Glycine 0 N--CA 1.475 1.275 0 N-CA-C 116.237 1.255 . . . . 0.0 116.237 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.2 mtp -68.39 -37.61 80.54 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -165.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.455 HG22 ' H ' ' B' ' 13' ' ' CYS 0.405 5.9 t 54.97 -124.68 2.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.57 2.348 . . . . 0.0 115.546 170.206 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . 0.455 ' H ' HG22 ' B' ' 12' ' ' THR . 2.1 m -79.97 172.45 13.76 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -154.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -64.7 -34.94 79.48 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.728 1.211 . . . . 0.0 113.604 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.26 -40.86 15.11 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 112.329 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.8 -40.27 69.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.52 1.928 . . . . 0.0 113.544 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.72 -45.09 94.38 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 125.609 1.564 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.83 46.4 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.223 0.92 . . . . 0.0 113.336 -173.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -49.69 -36.02 23.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.252 1.021 . . . . 0.0 110.655 165.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 86.2 mt -57.75 -52.32 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.525 0.73 . . . . 0.0 110.396 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.64 -50.67 72.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 112.193 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -53.22 -36.92 61.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.402 1.081 . . . . 0.0 112.934 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.67 -54.55 4.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.614 0.766 . . . . 0.0 112.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.1 -41.28 74.25 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.161 0.891 . . . . 0.0 112.501 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -71.71 1.14 7.25 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -0.08 33.65 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.339 1.855 . . . . 0.0 114.489 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -83.1 3.9 28.61 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 69.07 155.01 0.12 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 128.673 2.789 . . . . 0.0 113.43 -173.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 -32.56 0.62 Allowed Glycine 0 N--CA 1.48 1.588 0 C-N-CA 126.616 2.055 . . . . 0.0 114.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 p -43.85 129.36 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 128.608 2.763 . . . . 0.0 113.289 167.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -112.08 -38.78 4.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.079 1.352 . . . . 0.0 112.462 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.77 153.43 43.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.684 1.593 . . . . 0.0 111.45 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -159.46 100.13 1.48 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.473 1.509 . . . . 0.0 109.114 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.68 171.99 7.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.301 1.841 . . . . 0.0 110.385 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -143.09 166.44 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.18 1.792 . . . . 0.0 111.809 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 41.8 t -145.71 129.36 17.09 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.096 0.959 . . . . 0.0 111.044 163.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.98 -39.72 63.47 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.904 0.882 . . . . 0.0 111.888 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.28 -36.01 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.993 0.815 . . . . 0.0 111.733 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.419 ' HG1' ' CD ' ' B' ' 41' ' ' GLU . 73.2 p -112.5 10.99 19.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.363 1.065 . . . . 0.0 113.529 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 49.6 52.71 14.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.789 2.436 . . . . 0.0 114.236 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . 0.419 ' CD ' ' HG1' ' B' ' 39' ' ' THR . 13.2 pt-20 -135.48 156.7 48.47 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.85 134.37 54.4 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.051 1.74 . . . . 0.0 109.125 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -113.83 96.63 5.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.151 1.78 . . . . 0.0 107.152 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.76 133.82 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.145 0.978 . . . . 0.0 112.115 -171.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.5 m -133.37 138.08 46.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.308 1.443 . . . . 0.0 108.659 -164.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -156.93 131.19 8.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.804 1.241 . . . . 0.0 110.57 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.64 -47.95 79.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.473 1.109 . . . . 0.0 111.179 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -169.95 -150.49 0.08 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.459 2.304 . . . . 0.0 110.505 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 65.26 -35.34 0.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 131.493 3.917 . . . . 0.0 116.059 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.01 162.95 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.501 1.92 . . . . 0.0 110.843 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -132.66 145.09 50.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.7 2.0 . . . . 0.0 110.939 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.92 -30.46 61.68 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.094 1.358 . . . . 0.0 113.392 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.19 -38.73 92.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.455 0.702 . . . . 0.0 112.39 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.7 m -72.72 -39.22 67.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.731 0.412 . . . . 0.0 110.98 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 85.8 mt -56.66 -47.85 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.504 0.722 . . . . 0.0 110.066 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' B' ' 67' ' ' GLU . 55.6 tttm -64.1 -9.18 14.94 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.755 1.622 . . . . 0.0 114.111 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -100.32 -48.13 4.69 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 120.546 -1.346 . . . . 0.0 108.86 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 12.0 mm -56.5 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 112.523 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.17 -25.31 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.42 0.688 . . . . 0.0 111.947 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.87 -28.68 19.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 119.339 -0.362 . . . . 0.0 111.767 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -62.06 -29.49 70.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.549 0.739 . . . . 0.0 110.662 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.77 -33.24 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.784 1.634 . . . . 0.0 114.508 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 14.98 20.85 Favored Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.691 1.139 . . . . 0.0 115.285 -164.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.94 -163.2 0.97 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.592 1.196 . . . . 0.0 110.724 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -156.55 144.4 19.4 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 128.379 2.672 . . . . 0.0 107.617 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 18.9 p -160.97 169.33 22.78 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -162.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' B' ' 56' ' ' LYS . 9.6 tp10 -155.4 148.96 25.14 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.449 2.3 . . . . 0.0 107.759 166.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.26 124.44 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tp -99.13 -49.99 4.3 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.803 1.241 . . . . 0.0 109.598 -164.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -155.07 150.96 27.8 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.978 1.711 . . . . 0.0 110.351 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.87 19.41 0.86 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.763 2.425 . . . . 0.0 114.444 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 130.819 3.648 . . . . 0.0 112.195 -175.113 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 CA--C 1.539 0.557 0 CA-C-O 121.543 0.687 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.2 mt -54.01 138.17 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.685 1.194 . . . . 0.0 111.153 166.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -103.57 151.7 22.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.865 1.266 . . . . 0.0 110.589 171.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -111.43 126.81 55.35 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 110.449 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -120.84 143.89 48.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.705 1.202 . . . . 0.0 111.518 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -134.27 130.92 37.81 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.664 0.785 . . . . 0.0 110.146 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -124.53 153.06 42.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.64 1.976 . . . . 0.0 111.468 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -101.77 123.72 46.2 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.538 1.535 . . . . 0.0 109.979 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.66 136.85 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.122 1.369 . . . . 0.0 110.367 -167.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.45 118.58 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.684 0.794 . . . . 0.0 111.596 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.1 mtm -145.37 135.04 23.41 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -175.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -84.37 -29.67 26.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.714 2.006 . . . . 0.0 115.554 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.2 p -166.58 165.64 16.61 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 -161.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -67.78 -16.5 64.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.59 -41.94 34.26 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.744 1.164 . . . . 0.0 111.123 169.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -58.51 -52.13 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.871 0.868 . . . . 0.0 110.949 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.7 p -66.54 -24.53 66.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.46 -42.77 47.49 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.245 0.929 . . . . 0.0 112.089 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.23 72.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.469 1.108 . . . . 0.0 111.71 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.43 -50.6 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.419 0.687 . . . . 0.0 110.202 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.53 -38.69 69.59 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.517 0.599 . . . . 0.0 112.518 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.95 -32.72 74.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.35 -37.48 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.877 1.217 . . . . 0.0 110.906 171.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.59 -22.23 62.58 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.5 m -55.66 -26.58 45.37 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.455 1.502 . . . . 0.0 113.202 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.6 -24.74 34.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.44 1.496 . . . . 0.0 113.395 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -105.49 2.95 28.97 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.113 1.765 . . . . 0.0 113.974 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -53.43 -23.43 0.83 Allowed Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.37 -27.41 84.81 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 122.521 1.936 . . . . 0.0 113.454 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -121.82 -23.75 5.41 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.29 1.436 . . . . 0.0 114.177 -175.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.7 125.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.79 1.636 . . . . 0.0 109.516 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -81.95 -35.28 29.23 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -159.54 137.09 9.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 113.727 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.2 136.08 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.181 1.792 . . . . 0.0 109.285 163.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -143.89 119.24 10.24 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.61 1.164 . . . . 0.0 111.349 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.31 137.57 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.904 0.881 . . . . 0.0 110.988 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -114.88 87.03 2.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.223 1.809 . . . . 0.0 109.547 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.09 -45.32 83.45 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.484 1.114 . . . . 0.0 113.706 -167.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -67.1 -27.62 67.49 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -93.45 -4.23 51.63 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.024 0.93 . . . . 0.0 112.622 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 59.34 29.34 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.338 2.255 . . . . 0.0 113.184 -176.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.28 152.81 21.09 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 112.868 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.95 129.59 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.345 1.858 . . . . 0.0 109.379 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -113.99 134.43 54.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.764 1.626 . . . . 0.0 111.687 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.88 143.94 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.088 1.355 . . . . 0.0 110.879 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -125.04 120.49 31.65 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.883 1.673 . . . . 0.0 110.76 169.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -169.22 172.47 7.31 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 p -106.78 6.19 29.31 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.169 2.988 . . . . 0.0 113.127 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.8 159.96 79.93 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.485 1.114 . . . . 0.0 111.577 171.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -65.56 146.94 85.96 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.4 2.734 . . . . 0.0 113.69 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -53.13 -54.17 39.66 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.73 -27.5 64.01 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 112.927 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.406 ' CZ ' ' HE2' ' A' ' 59' ' ' LYS . 68.3 t80 -65.45 -39.29 91.86 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.77 -0.581 . . . . 0.0 110.983 172.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.4 mm -68.88 -40.73 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.487 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.45 -43.69 79.75 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.638 1.108 . . . . 0.0 111.309 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.48 -43.51 98.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.141 0.976 . . . . 0.0 113.278 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 mmtt -72.8 -19.46 61.33 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.988 1.267 . . . . 0.0 113.034 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -73.14 -53.44 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.126 -0.984 . . . . 0.0 110.167 164.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -57.43 -31.86 66.32 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.45 1.023 . . . . 0.0 113.348 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -31.98 22.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.38 1.472 . . . . 0.0 113.89 170.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -63.11 -16.38 59.79 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.833 1.253 . . . . 0.0 114.191 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.92 -0.11 83.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.578 1.085 . . . . 0.0 114.06 -173.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.69 165.91 11.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.122 1.369 . . . . 0.0 111.41 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.87 137.46 33.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.949 1.7 . . . . 0.0 112.527 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.23 136.18 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.448 1.499 . . . . 0.0 109.199 163.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -101.63 -40.0 7.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.844 1.258 . . . . 0.0 113.587 -173.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 p -159.8 161.84 34.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.419 1.008 . . . . 0.0 111.265 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.03 154.48 17.2 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.26 167.26 29.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.584 1.554 . . . . 0.0 113.551 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.2 142.97 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.81 0.844 . . . . 0.0 110.655 158.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.942 -174.769 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -70.08 95.88 1.01 Allowed 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 127.987 2.515 . . . . 0.0 109.983 -173.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.94 137.15 58.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.855 156.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.0 144.72 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.677 0.751 . . . . 0.0 110.714 161.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -119.24 129.82 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.191 1.796 . . . . 0.0 107.29 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.31 142.68 48.88 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.469 0.577 . . . . 0.0 111.004 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 118.53 22.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.822 168.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.55 101.99 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.669 1.122 . . . . 0.0 108.672 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -75.92 -32.23 59.5 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.479 0.712 . . . . 0.0 112.81 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.2 -7.2 68.0 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.941 1.258 . . . . 0.0 115.664 -168.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.2 ptm -71.09 161.4 31.18 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.418 1.609 . . . . 0.0 111.675 173.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -140.67 -16.28 0.9 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 165.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 p -137.47 170.25 16.4 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -172.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -86.36 -1.97 58.01 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.51 -47.68 6.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.442 1.097 . . . . 0.0 112.743 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.81 -29.03 69.97 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.927 0.891 . . . . 0.0 112.834 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -29.76 68.23 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.34 1.056 . . . . 0.0 112.576 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -20.02 65.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.928 1.24 . . . . 0.0 112.426 174.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -57.3 -32.17 66.4 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.931 1.241 . . . . 0.0 110.842 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.77 -50.52 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.478 0.581 . . . . 0.0 109.742 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -59.17 -51.13 71.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -54.44 -38.94 66.9 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.314 1.415 . . . . 0.0 113.944 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.81 -33.51 24.92 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.747 1.158 . . . . 0.0 113.406 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.3 mt -80.47 -39.71 27.55 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.575 1.08 . . . . 0.0 112.686 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -61.94 -7.36 3.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.981 1.313 . . . . 0.0 113.661 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.99 -33.36 14.17 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.299 2.9 pp -83.54 17.48 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 117.614 2.45 . . . . 0.0 117.614 -160.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt 69.29 27.23 5.15 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.811 2.044 . . . . 0.0 114.296 167.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.62 -16.08 0.46 Allowed Glycine 0 N--CA 1.478 1.454 0 N-CA-C 117.768 1.867 . . . . 0.0 117.768 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.28 137.74 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.607 1.963 . . . . 0.0 110.789 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 43.6 p -93.46 -40.48 10.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.076 0.951 . . . . 0.0 111.85 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -161.36 157.55 25.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.148 1.379 . . . . 0.0 112.26 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -152.19 104.64 2.98 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.476 1.91 . . . . 0.0 110.253 -175.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -107.05 -176.49 3.09 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 110.778 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -156.16 139.4 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.357 1.463 . . . . 0.0 110.233 -175.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 65.1 m -114.15 109.25 18.11 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.041 0.936 . . . . 0.0 109.327 167.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.56 -35.64 73.19 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.681 1.592 . . . . 0.0 115.008 -163.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.1 t -73.4 -35.27 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.976 0.807 . . . . 0.0 112.072 -178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 10.3 p -96.34 -9.14 30.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.623 1.569 . . . . 0.0 113.325 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.12 30.99 13.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.302 2.241 . . . . 0.0 113.094 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -84.48 118.74 24.48 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.007 1.323 . . . . 0.0 109.763 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.48 122.23 30.94 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 165.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -119.54 90.22 3.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -164.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -122.17 148.39 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.182 1.393 . . . . 0.0 112.706 -167.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -141.66 117.81 10.67 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.313 1.445 . . . . 0.0 108.778 -167.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.58 -158.47 0.92 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.357 1.063 . . . . 0.0 110.914 -164.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -153.84 176.34 12.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.711 1.604 . . . . 0.0 113.52 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -41.17 -32.65 0.29 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 128.778 2.831 . . . . 0.0 116.294 -170.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.4 -35.62 3.77 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.738 2.415 . . . . 0.0 113.795 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.28 156.58 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.708 1.203 . . . . 0.0 111.014 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 154.07 37.95 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.955 1.702 . . . . 0.0 111.204 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.14 -31.57 63.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.362 1.065 . . . . 0.0 112.443 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.37 -33.49 73.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.92 0.888 . . . . 0.0 112.438 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m -85.15 -31.35 23.32 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.271 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.03 -40.66 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 172.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.6 2.45 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.468 1.907 . . . . 0.0 115.568 167.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -110.81 -46.55 3.34 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.537 1.135 . . . . 0.0 109.373 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -56.81 -48.57 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.075 1.35 . . . . 0.0 112.685 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.9 -24.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.047 -1.033 . . . . 0.0 110.936 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -88.81 -26.06 21.89 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.267 2.7 p30 -89.72 -5.98 56.49 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.052 1.296 . . . . 0.0 114.215 172.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 78.0 m -76.03 -22.35 55.84 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.986 153.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.25 16.3 12.53 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.537 1.541 . . . . 0.0 116.636 175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -98.3 -148.37 0.33 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.986 1.893 . . . . 0.0 110.742 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -160.44 155.38 24.37 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.105 1.362 . . . . 0.0 108.534 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -166.64 165.79 16.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.62 158.46 43.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.346 1.858 . . . . 0.0 109.878 161.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.93 113.81 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tp -92.82 -44.37 8.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.828 1.251 . . . . 0.0 109.686 -165.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -157.81 156.34 31.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.425 2.29 . . . . 0.0 109.264 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.99 18.36 2.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.829 2.051 . . . . 0.0 112.578 166.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.255 1.373 1 C-N-CA 132.9 4.48 . . . . 0.0 109.281 -165.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.45 114.5 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.543 1.137 . . . . 0.0 110.5 172.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -104.65 156.56 17.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.653 1.181 . . . . 0.0 111.445 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -104.85 142.16 35.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.281 1.032 . . . . 0.0 112.072 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.3 149.23 42.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.604 1.561 . . . . 0.0 110.853 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -141.77 133.47 27.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.711 0.805 . . . . 0.0 111.488 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -127.71 142.1 51.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.247 1.419 . . . . 0.0 111.312 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.24 124.46 36.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.397 1.079 . . . . 0.0 108.995 161.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.42 139.28 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.718 1.207 . . . . 0.0 109.754 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -72.24 115.03 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.356 0.662 . . . . 0.0 109.752 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.9 mtm -137.19 121.91 18.63 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.564 1.146 . . . . 0.0 110.113 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.9 m -91.55 -30.36 16.44 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.027 0.931 . . . . 0.0 113.171 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -151.39 170.68 18.98 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 126.506 1.922 . . . . 0.0 111.734 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 m -71.26 -6.52 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.57 61.07 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 120.777 -1.202 . . . . 0.0 111.008 169.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.65 -45.47 90.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.768 0.784 . . . . 0.0 112.587 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -63.32 -38.31 90.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.629 1.104 . . . . 0.0 112.299 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -35.63 89.24 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.748 0.704 . . . . 0.0 113.089 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.13 72.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.119 0.968 . . . . 0.0 111.765 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.7 -43.93 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.227 0.611 . . . . 0.0 110.647 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.45 -47.81 72.45 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.913 0.779 . . . . 0.0 110.931 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.2 -39.74 79.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.391 0.996 . . . . 0.0 112.792 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.76 -46.85 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.762 1.165 . . . . 0.0 111.806 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.9 -33.66 30.34 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -67.44 -15.76 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.167 1.387 . . . . 0.0 112.493 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -74.81 -7.8 54.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.468 1.507 . . . . 0.0 113.74 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.5 mt -125.92 8.29 7.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.372 1.469 . . . . 0.0 114.672 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -48.2 -36.62 11.6 Favored Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 116.439 2.015 . . . . 0.0 116.439 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -53.95 -17.84 11.72 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.396 2.064 . . . . 0.0 115.858 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -119.36 -0.25 10.98 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.534 1.133 . . . . 0.0 113.373 173.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.14 118.81 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 109.098 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -98.25 -19.4 17.85 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 -168.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -156.87 139.65 15.16 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.472 1.109 . . . . 0.0 111.444 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -128.79 132.48 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.904 2.082 . . . . 0.0 107.859 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -145.42 105.17 3.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.184 0.993 . . . . 0.0 111.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mm -102.05 121.91 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.852 1.661 . . . . 0.0 110.382 -174.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -117.59 97.98 6.15 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.001 1.32 . . . . 0.0 110.717 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.95 -44.75 84.12 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.268 -0.895 . . . . 0.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.01 -48.07 83.25 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.24 0.927 . . . . 0.0 111.071 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -87.85 2.77 50.57 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.737 1.215 . . . . 0.0 113.508 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 53.23 25.42 4.35 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.657 2.783 . . . . 0.0 115.629 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.18 152.21 23.1 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.073 1.349 . . . . 0.0 113.339 -172.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.58 119.2 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 127.177 2.191 . . . . 0.0 107.748 174.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.3 121.24 39.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 109.775 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.37 140.89 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.647 0.779 . . . . 0.0 112.107 -171.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -117.31 123.72 47.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.195 1.798 . . . . 0.0 111.137 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -163.46 153.22 15.15 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.0 p -77.8 -10.23 59.44 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.144 1.778 . . . . 0.0 113.554 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.53 150.36 96.09 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.687 1.195 . . . . 0.0 112.575 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.59 150.84 36.23 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.634 2.889 . . . . 0.0 111.659 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.58 -44.95 89.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.83 -23.28 66.65 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -71.78 -34.54 69.52 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.34 -0.85 . . . . 0.0 111.912 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.99 -40.93 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.419 -0.8 . . . . 0.0 109.943 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.21 -41.56 97.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.419 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.07 -44.17 82.8 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.351 0.978 . . . . 0.0 112.954 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -50.36 72.72 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.363 0.983 . . . . 0.0 110.5 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.05 -50.56 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.339 1.055 . . . . 0.0 111.737 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -66.56 -27.76 67.99 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.796 -1.19 . . . . 0.0 112.392 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -84.91 -9.64 57.9 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -9.28 58.29 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -169.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.63 87.09 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 119.564 1.075 . . . . 0.0 115.273 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -129.92 132.61 46.42 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.798 1.639 . . . . 0.0 109.067 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.7 141.97 55.15 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.981 0.512 . . . . 0.0 112.35 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.91 131.57 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 109.739 172.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -91.24 -43.66 9.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.76 0.824 . . . . 0.0 112.8 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p -158.17 126.07 5.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.845 0.858 . . . . 0.0 111.623 -171.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.01 131.08 6.29 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.903 1.239 . . . . 0.0 113.054 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -140.41 152.89 46.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.414 1.086 . . . . 0.0 113.754 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.33 139.7 38.94 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.557 1.943 . . . . 0.0 110.084 167.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.978 1.311 . . . . 0.0 113.389 -168.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -125.05 98.91 5.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.984 1.313 . . . . 0.0 111.017 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.54 126.57 28.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.912 1.285 . . . . 0.0 111.235 165.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.26 146.73 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.982 1.713 . . . . 0.0 109.624 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.06 127.05 69.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.15 151.0 24.58 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.741 0.7 . . . . 0.0 109.515 170.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.36 143.29 29.57 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 160.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.88 91.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.137 1.375 . . . . 0.0 109.112 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.11 25.09 0.16 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.72 20.75 2.72 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-O 118.117 -1.38 . . . . 0.0 116.379 -170.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.95 155.33 6.34 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.659 1.729 . . . . 0.0 114.518 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -166.93 175.46 7.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.599 1.959 . . . . 0.0 109.881 -161.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.25 176.45 2.75 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 128.164 2.586 . . . . 0.0 115.259 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -66.8 -23.28 66.04 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -164.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.35 -11.89 33.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.77 1.168 . . . . 0.0 113.653 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -99.08 -23.31 15.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.021 2.128 . . . . 0.0 113.004 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.93 -36.13 42.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.196 1.398 . . . . 0.0 113.754 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -67.46 -14.33 62.83 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -50.31 -31.28 13.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.038 0.935 . . . . 0.0 110.97 161.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.1 -73.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.312 0.645 . . . . 0.0 111.244 165.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -31.36 71.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -162.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.8 m -59.8 -38.52 82.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.174 0.897 . . . . 0.0 111.69 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.67 -36.66 57.18 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.357 0.98 . . . . 0.0 112.475 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 74.2 mt -58.27 -30.91 66.96 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.222 0.919 . . . . 0.0 111.981 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -77.4 -23.86 50.58 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.629 1.172 . . . . 0.0 114.091 170.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -35.62 51.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.876 -1.14 . . . . 0.0 113.736 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.33 10.98 9.18 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 -160.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 67.05 178.26 0.23 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 128.509 2.723 . . . . 0.0 113.082 -175.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.12 -47.05 1.9 Allowed Glycine 0 N--CA 1.478 1.487 0 C-N-CA 127.038 2.256 . . . . 0.0 115.706 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.8 131.88 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.894 2.077 . . . . 0.0 111.318 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -108.73 -28.29 9.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.442 1.497 . . . . 0.0 111.991 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -148.11 148.09 30.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.533 1.133 . . . . 0.0 111.601 170.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.2 p -145.72 148.37 32.94 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.655 0.782 . . . . 0.0 113.028 171.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -154.9 158.46 39.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.707 2.003 . . . . 0.0 110.168 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.53 138.01 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.389 1.475 . . . . 0.0 112.102 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -119.62 90.42 3.33 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.221 1.408 . . . . 0.0 110.459 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -52.54 -46.57 66.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.24 1.816 . . . . 0.0 113.034 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.44 -32.47 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.001 0.92 . . . . 0.0 113.21 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -114.45 2.63 14.7 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.761 1.625 . . . . 0.0 113.626 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.92 37.28 24.0 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.375 1.87 . . . . 0.0 113.444 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -122.62 169.64 10.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.285 1.434 . . . . 0.0 111.417 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -137.59 134.7 35.88 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.521 -0.737 . . . . 0.0 112.552 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -93.78 95.36 9.09 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.1 138.16 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 0.0 110.283 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -134.27 127.24 31.43 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.314 1.046 . . . . 0.0 109.32 -167.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.8 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.931 0.892 . . . . 0.0 112.761 -168.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -153.22 -177.49 6.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.133 2.573 . . . . 0.0 109.964 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.38 -18.85 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.304 1.442 . . . . 0.0 113.676 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -49.46 -23.91 1.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.436 2.294 . . . . 0.0 113.842 168.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -156.4 163.06 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.64 1.564 . . . . 0.0 112.145 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -125.51 145.9 49.89 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.494 1.518 . . . . 0.0 111.971 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -16.93 51.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.291 1.436 . . . . 0.0 113.455 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.7 -28.46 50.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.032 0.933 . . . . 0.0 112.938 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -78.7 -46.51 18.89 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 170.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -54.23 -43.95 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.242 0.617 . . . . 0.0 110.262 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -50.54 -49.4 56.01 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 123.521 0.728 . . . . 0.0 112.95 172.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -78.27 -26.46 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.282 1.401 . . . . 0.0 110.781 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.32 -51.85 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.834 1.253 . . . . 0.0 110.781 168.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mm -75.97 -23.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 121.3 -0.875 . . . . 0.0 111.618 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.05 -32.37 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.755 0.822 . . . . 0.0 111.924 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.04 -21.11 61.58 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.937 1.244 . . . . 0.0 113.732 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.58 -18.79 61.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.525 1.13 . . . . 0.0 113.489 170.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.76 23.17 8.41 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.175 1.369 . . . . 0.0 115.329 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.47 -158.23 0.65 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.678 1.239 . . . . 0.0 110.109 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.43 16.74 2.03 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -163.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.82 154.37 39.53 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -162.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -160.06 145.78 15.41 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.719 1.607 . . . . 0.0 108.241 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 tt -54.05 131.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.654 0.74 . . . . 0.0 112.25 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -95.97 -52.29 4.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.321 1.448 . . . . 0.0 107.849 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -162.42 138.89 7.72 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.909 1.284 . . . . 0.0 111.426 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.13 60.97 0.43 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.785 2.434 . . . . 0.0 111.634 167.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 130.015 3.326 . . . . 0.0 113.628 177.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 121.694 0.759 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.94 138.17 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.883 0.849 . . . . 0.0 110.941 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -112.37 159.02 19.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.928 2.091 . . . . 0.0 110.685 165.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -117.59 140.78 49.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.341 1.456 . . . . 0.0 111.286 171.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.5 150.9 44.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.602 1.961 . . . . 0.0 110.673 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -136.57 134.74 37.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.519 -0.738 . . . . 0.0 110.543 172.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.66 138.03 52.7 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.895 1.278 . . . . 0.0 111.175 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.66 119.85 35.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.413 1.485 . . . . 0.0 109.222 166.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.51 130.68 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.746 1.218 . . . . 0.0 110.833 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.55 97.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.19 0.996 . . . . 0.0 109.401 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -73.32 -31.33 63.93 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -161.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p 73.97 -36.92 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 129.685 3.194 . . . . 0.0 114.445 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.54 175.29 10.0 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 127.73 2.412 . . . . 0.0 110.567 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 m -71.41 -16.39 62.39 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.72 73.17 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.912 0.778 . . . . 0.0 113.47 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.01 -44.85 64.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.737 1.215 . . . . 0.0 112.828 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -59.05 -22.13 60.23 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.4 -41.44 4.82 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 125.042 1.306 . . . . 0.0 112.315 170.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.62 55.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.376 1.07 . . . . 0.0 112.044 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.04 -41.09 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.146 0.578 . . . . 0.0 110.545 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -55.13 -51.24 67.08 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.257 0.623 . . . . 0.0 110.871 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -61.35 -47.9 83.78 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.571 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.35 -43.31 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 120.27 1.396 . . . . 0.0 111.528 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.81 -28.42 62.55 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.343 -0.848 . . . . 0.0 112.984 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -62.6 -30.53 71.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.256 1.022 . . . . 0.0 111.935 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -56.39 -21.26 23.79 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.665 1.12 . . . . 0.0 113.531 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -112.36 11.89 20.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.696 1.598 . . . . 0.0 113.785 -170.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.01 -30.91 6.36 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.72 -17.89 52.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 121.891 1.711 . . . . 0.0 113.607 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -107.96 -35.16 6.7 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 112.785 168.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.36 105.75 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.045 1.738 . . . . 0.0 110.801 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 p -84.44 -18.22 36.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.401 1.48 . . . . 0.0 114.818 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -162.38 136.32 6.41 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.272 1.029 . . . . 0.0 112.954 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.37 127.56 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.936 1.694 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.07 138.51 40.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.867 1.267 . . . . 0.0 111.186 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.2 mm -105.29 146.44 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -131.49 101.44 5.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.889 1.275 . . . . 0.0 110.813 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.13 -51.43 63.95 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.5 -52.05 50.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.137 0.881 . . . . 0.0 110.857 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.05 -4.56 25.64 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.211 1.404 . . . . 0.0 113.327 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 55.9 30.96 16.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.709 2.004 . . . . 0.0 113.621 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.94 155.99 17.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.819 1.248 . . . . 0.0 113.162 -175.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.31 131.83 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.339 1.856 . . . . 0.0 109.174 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.71 118.45 36.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.284 1.834 . . . . 0.0 110.066 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.66 134.82 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.714 1.206 . . . . 0.0 110.866 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.58 132.55 54.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.442 1.497 . . . . 0.0 109.646 168.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.92 154.1 7.51 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -171.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -75.62 -6.75 51.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.556 1.542 . . . . 0.0 113.562 169.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.86 157.81 78.7 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.835 1.654 . . . . 0.0 113.868 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.58 159.8 48.05 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.96 3.107 . . . . 0.0 112.138 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.96 -52.79 17.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.053 1.341 . . . . 0.0 113.861 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.39 -21.85 66.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.66 -39.87 94.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.586 0.754 . . . . 0.0 111.583 170.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.2 mm -73.91 -38.87 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.304 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.87 -50.23 64.22 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.462 0.574 . . . . 0.0 110.957 173.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.32 -44.21 79.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.582 0.753 . . . . 0.0 112.885 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.89 -33.53 71.96 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.156 1.344 . . . . 0.0 112.771 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.59 -59.77 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.748 1.219 . . . . 0.0 110.483 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.17 -35.65 69.83 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.574 1.079 . . . . 0.0 113.187 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 3.22 20.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -63.23 -33.48 75.58 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.234 -0.916 . . . . 0.0 112.065 163.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.97 -3.0 14.58 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.116 1.341 . . . . 0.0 114.008 -170.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -108.52 141.83 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.751 1.276 . . . . 0.0 112.085 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -81.78 158.44 24.12 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.594 1.158 . . . . 0.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.38 143.89 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.619 1.168 . . . . 0.0 111.322 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.45 -42.95 21.73 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.312 -0.242 . . . . 0.0 110.998 172.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -171.61 148.6 2.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.365 1.066 . . . . 0.0 112.951 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.6 159.57 21.03 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.404 1.002 . . . . 0.0 111.529 159.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -140.86 150.63 43.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.989 0.899 . . . . 0.0 113.15 167.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -98.44 130.03 45.06 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.898 2.079 . . . . 0.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.257 1.823 . . . . 0.0 111.262 -174.598 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -161.49 117.45 2.12 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.687 1.195 . . . . 0.0 112.398 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -66.78 132.18 47.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.688 1.195 . . . . 0.0 109.352 154.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.37 142.58 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.822 1.649 . . . . 0.0 111.884 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -118.76 108.7 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.864 1.666 . . . . 0.0 107.685 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.56 135.82 45.26 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.409 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.09 145.93 35.51 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.741 1.155 . . . . 0.0 110.374 170.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.52 113.62 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.12 1.368 . . . . 0.0 107.739 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -84.39 25.82 0.84 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -165.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.31 18.44 2.67 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.251 1.405 . . . . 0.0 115.488 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.7 mmt -51.45 151.8 2.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.967 1.384 . . . . 0.0 113.703 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -170.26 -148.7 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.997 1.719 . . . . 0.0 110.465 -160.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -74.51 172.62 11.65 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.904 1.681 . . . . 0.0 114.08 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -75.67 -26.57 57.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -155.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.9 13.35 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.648 1.113 . . . . 0.0 111.366 174.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -56.5 -37.01 69.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.931 1.293 . . . . 0.0 112.505 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.4 p -79.14 -56.1 4.62 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.417 1.487 . . . . 0.0 112.871 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -71.52 6.79 1.67 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.747 1.158 . . . . 0.0 114.104 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -38.96 -49.81 1.72 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.218 1.007 . . . . 0.0 110.596 145.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.17 -55.87 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.762 0.825 . . . . 0.0 110.686 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -58.38 -44.91 89.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.46 0.704 . . . . 0.0 111.722 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 48.6 m -45.93 -35.01 4.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.719 1.208 . . . . 0.0 114.103 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -91.55 -47.91 7.15 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.561 1.528 . . . . 0.0 113.382 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pp -70.76 -29.89 66.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.988 1.267 . . . . 0.0 113.341 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -60.06 -29.55 68.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.519 1.054 . . . . 0.0 112.192 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.93 -6.69 59.02 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -169.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.271 3.8 pp -73.48 10.54 1.01 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -169.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt 59.08 28.51 17.81 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.647 2.779 . . . . 0.0 113.757 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.64 -3.93 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.332 1.92 . . . . 0.0 116.651 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.8 t -94.6 129.02 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.146 1.473 . . . . 0.0 108.438 173.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 24.4 m -97.95 -47.72 5.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.219 1.008 . . . . 0.0 110.944 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -136.14 148.84 48.4 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.901 1.681 . . . . 0.0 109.901 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 p -176.2 133.65 0.25 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.817 1.247 . . . . 0.0 113.981 -167.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.75 -178.89 6.0 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.441 2.696 . . . . 0.0 108.776 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.19 153.13 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.05 2.14 . . . . 0.0 110.985 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -135.23 148.48 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.2 1.4 . . . . 0.0 109.223 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.26 12.46 29.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.12 -35.7 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.804 0.729 . . . . 0.0 110.925 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.41 -20.55 8.42 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.354 1.462 . . . . 0.0 111.476 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.253 78.0 m-20 90.2 47.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.802 3.241 . . . . 0.0 110.504 -174.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -111.04 149.43 30.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.731 1.612 . . . . 0.0 114.465 -170.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.6 m -91.15 126.48 36.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.565 1.146 . . . . 0.0 109.098 161.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.32 85.47 2.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.323 1.049 . . . . 0.0 108.947 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.72 157.29 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.79 1.636 . . . . 0.0 112.009 -160.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.2 m -147.47 136.26 22.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.979 1.712 . . . . 0.0 109.504 -173.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.64 147.13 37.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 123.213 1.482 . . . . 0.0 111.261 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.36 -68.22 0.64 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 128.729 2.812 . . . . 0.0 113.589 -173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 178.0 154.6 0.34 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.408 2.683 . . . . 0.0 108.917 -173.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 80.38 36.17 0.12 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 129.583 3.153 . . . . 0.0 111.099 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.9 t -159.02 148.7 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.543 2.337 . . . . 0.0 108.714 -161.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -148.41 147.66 29.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 110.545 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.37 -27.01 67.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.19 -35.65 69.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.694 1.198 . . . . 0.0 112.61 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 m -78.83 -37.02 41.6 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.118 0.967 . . . . 0.0 111.651 175.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.14 -35.68 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.624 -0.673 . . . . 0.0 110.285 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -54.76 -33.69 61.58 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.856 -1.152 . . . . 0.0 112.661 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.85 -28.55 55.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.057 1.299 . . . . 0.0 110.62 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.14 -47.4 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.11 1.364 . . . . 0.0 110.101 171.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.37 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.72 -32.88 60.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.881 0.472 . . . . 0.0 111.574 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.37 -19.75 63.84 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -81.74 -4.29 55.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.808 1.643 . . . . 0.0 112.683 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.91 9.54 65.82 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.477 1.513 . . . . 0.0 116.329 172.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.14 -155.25 0.43 Allowed 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.897 1.848 . . . . 0.0 111.892 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.25 137.0 17.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.997 2.119 . . . . 0.0 107.152 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -167.61 158.3 11.13 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -155.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.24 17.41 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.904 1.281 . . . . 0.0 110.601 -171.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 tp -75.89 107.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.54 -43.91 16.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 109.085 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -155.37 145.58 21.79 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.754 2.022 . . . . 0.0 108.006 169.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.29 47.59 0.57 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.135 -0.978 . . . . 0.0 112.211 161.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.253 1.266 0 C-N-CA 130.857 3.663 . . . . 0.0 111.805 -168.264 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 . . . . . 0 CA--C 1.544 0.748 0 CA-C-O 122.638 1.208 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.9 mt -81.74 113.85 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 125.977 1.711 . . . . 0.0 110.391 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -85.76 162.0 18.91 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.928 1.291 . . . . 0.0 111.55 169.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -121.91 121.8 37.94 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.24 1.816 . . . . 0.0 110.103 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.12 149.17 43.96 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.768 1.227 . . . . 0.0 111.198 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -129.33 146.31 51.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.443 1.097 . . . . 0.0 109.875 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -138.94 141.79 38.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.761 1.624 . . . . 0.0 110.283 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -106.13 116.85 32.64 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.74 2.016 . . . . 0.0 108.357 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.57 139.85 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.4 1.08 . . . . 0.0 109.765 -161.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.57 113.83 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 122.961 0.504 . . . . 0.0 109.791 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.5 tpp -125.69 104.58 8.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.409 1.084 . . . . 0.0 110.002 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -81.85 -21.85 37.3 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -164.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -160.21 167.96 26.46 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.601 1.56 . . . . 0.0 112.598 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -67.99 -15.94 63.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.838 -1.164 . . . . 0.0 112.896 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.72 -38.15 37.74 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.476 1.036 . . . . 0.0 111.735 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.0 -45.6 92.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.671 1.188 . . . . 0.0 110.84 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -55.29 -45.96 76.2 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.968 0.507 . . . . 0.0 112.122 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.73 -40.17 98.87 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 123.296 0.474 . . . . 0.0 112.706 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.23 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.694 1.197 . . . . 0.0 112.01 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.71 -43.35 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.478 -0.764 . . . . 0.0 110.931 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.08 -35.74 75.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.334 -0.853 . . . . 0.0 112.272 172.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -62.93 -46.2 88.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.783 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.6 t -52.14 -50.54 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 119.429 1.013 . . . . 0.0 111.283 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.32 -22.49 57.62 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -68.41 -26.17 65.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.026 1.284 . . . . 0.0 111.84 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -56.81 -15.73 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.451 -1.406 . . . . 0.0 113.456 165.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.0 mt -107.91 9.47 28.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.8 1.64 . . . . 0.0 113.551 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -50.08 -29.97 2.84 Favored Pre-proline 0 N--CA 1.48 1.047 0 CA-C-N 121.834 2.106 . . . . 0.0 115.835 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -58.47 -18.4 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 CA-C-N 121.354 1.519 . . . . 0.0 114.607 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.65 -19.21 3.77 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.503 1.921 . . . . 0.0 113.79 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.95 134.27 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 109.591 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -91.15 -46.52 8.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.637 0.775 . . . . 0.0 112.667 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -156.34 136.09 12.54 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.41 1.084 . . . . 0.0 112.269 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.59 132.69 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.199 1.4 . . . . 0.0 110.042 169.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -139.85 116.77 11.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.127 0.971 . . . . 0.0 111.481 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.52 142.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.729 1.612 . . . . 0.0 110.332 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -127.06 97.41 4.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.347 1.859 . . . . 0.0 109.466 171.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.0 -48.95 64.35 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -166.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -43.44 89.35 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.134 1.334 . . . . 0.0 111.002 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -82.59 0.76 41.39 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.441 1.896 . . . . 0.0 113.445 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 52.55 38.21 25.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.363 2.665 . . . . 0.0 114.781 174.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.278 3.7 pp -125.01 157.2 36.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.78 130.5 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 126.53 1.932 . . . . 0.0 108.559 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -107.83 137.53 45.68 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.018 1.727 . . . . 0.0 109.752 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.55 147.48 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.846 1.259 . . . . 0.0 110.953 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.47 130.48 49.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.873 1.669 . . . . 0.0 110.496 166.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -167.54 154.79 8.55 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.75 1.159 . . . . 0.0 113.374 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.2 p -80.27 -12.41 59.62 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.869 1.268 . . . . 0.0 112.894 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.33 152.36 96.54 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 112.819 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -71.44 151.58 59.56 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.448 2.766 . . . . 0.0 111.981 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.37 -42.89 87.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.84 1.256 . . . . 0.0 113.411 -171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.83 -23.19 67.16 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.799 1.24 . . . . 0.0 112.763 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.88 -37.88 58.43 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 111.673 173.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.7 mm -71.12 -39.61 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.954 0.902 . . . . 0.0 111.939 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.02 -47.21 68.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.517 0.599 . . . . 0.0 111.053 173.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.28 -31.9 70.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.7 -46.28 90.36 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 120.155 1.343 . . . . 0.0 111.275 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.15 -52.04 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.19 0.996 . . . . 0.0 110.462 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -53.9 -37.32 63.65 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.205 1.002 . . . . 0.0 112.42 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -63.33 -23.38 67.39 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.7 p -73.08 -18.43 61.31 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -174.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.73 2.81 88.54 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.357 0.98 . . . . 0.0 114.76 -173.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -94.87 127.79 41.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.315 1.446 . . . . 0.0 109.178 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.14 136.12 38.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.809 0.731 . . . . 0.0 112.623 -172.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -88.66 144.64 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.325 1.05 . . . . 0.0 111.347 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -110.44 -50.78 2.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 112.263 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -155.15 171.32 19.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.655 1.982 . . . . 0.0 110.345 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.92 171.09 42.52 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.57 1.081 . . . . 0.0 114.284 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -163.64 164.63 23.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.08 145.97 26.58 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.746 1.619 . . . . 0.0 111.055 162.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.127 1.371 . . . . 0.0 112.998 -170.169 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -161.69 126.36 3.41 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.252 1.821 . . . . 0.0 111.416 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.31 153.33 43.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.391 2.276 . . . . 0.0 111.655 166.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.71 138.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.538 1.135 . . . . 0.0 111.827 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.5 mm -119.08 128.18 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.41 145.25 48.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.911 0.778 . . . . 0.0 112.059 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.91 137.68 32.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.36 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.2 112.17 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.137 1.775 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.18 -0.46 49.4 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -164.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.72 23.71 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.339 1.924 . . . . 0.0 115.734 -165.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.79 134.87 36.49 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 120.105 1.952 . . . . 0.0 113.885 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -110.47 -152.19 0.49 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 127.256 2.222 . . . . 0.0 110.379 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.57 -35.77 15.71 Favored 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -160.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.3 t -169.55 -121.12 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.223 1.009 . . . . 0.0 112.364 -168.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -19.49 62.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.416 1.486 . . . . 0.0 114.941 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 p -50.25 -45.98 54.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.72 1.208 . . . . 0.0 111.691 164.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -71.55 -39.99 70.3 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 124.347 1.059 . . . . 0.0 112.968 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -65.35 -9.55 25.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.325 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -51.67 -35.83 44.05 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.504 1.502 . . . . 0.0 112.438 165.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.01 -57.7 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.5 1.12 . . . . 0.0 110.898 167.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.23 -48.13 81.35 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.77 0.714 . . . . 0.0 112.326 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -50.47 -44.65 55.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.631 1.172 . . . . 0.0 112.599 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -77.28 -45.52 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.442 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.53 -44.53 82.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.08 1.309 . . . . 0.0 112.969 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.69 -29.55 64.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.949 0.899 . . . . 0.0 111.981 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.0 -5.65 54.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.16 129.86 34.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.201 1.364 . . . . 0.0 112.845 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -51.21 126.61 17.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.975 0.91 . . . . 0.0 110.113 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.39 -32.55 6.61 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.252 1.882 . . . . 0.0 114.388 -174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.74 114.56 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.649 1.725 . . . . 0.0 109.541 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.3 t -96.9 -36.87 10.43 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.51 0.724 . . . . 0.0 111.998 -175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -143.12 154.7 44.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.687 1.595 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . 0.418 ' HG ' HG22 ' B' ' 44' ' ' VAL . 39.6 t -160.72 114.31 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.688 1.595 . . . . 0.0 110.002 -174.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -118.64 166.05 13.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.052 1.741 . . . . 0.0 111.465 171.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 tt -156.99 128.49 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.93 2.092 . . . . 0.0 111.453 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -122.81 111.06 16.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.087 0.955 . . . . 0.0 111.637 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.54 -34.35 75.4 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.97 -50.14 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.15 0.886 . . . . 0.0 111.473 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.1 p -78.45 -17.64 56.05 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m120 79.32 17.87 0.82 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.812 2.445 . . . . 0.0 113.026 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.73 147.99 24.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.268 1.027 . . . . 0.0 112.837 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 73.8 m -108.7 140.66 41.79 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.117 1.367 . . . . 0.0 109.722 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -122.78 96.79 5.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -173.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . 0.418 HG22 ' HG ' ' B' ' 33' ' ' CYS . 13.7 t -125.47 136.61 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.031 1.332 . . . . 0.0 110.384 -164.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -129.04 117.48 20.96 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -166.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -128.4 -157.2 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.745 0.783 . . . . 0.0 112.294 -165.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -178.73 163.23 1.43 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.051 2.94 . . . . 0.0 112.51 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.84 -6.67 1.33 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -166.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.25 -13.46 62.0 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.371 1.068 . . . . 0.0 112.79 165.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -151.86 171.86 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.216 2.206 . . . . 0.0 110.797 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -130.31 159.4 37.05 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.682 1.593 . . . . 0.0 112.359 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.14 -16.49 64.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.95 -38.24 82.57 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.834 1.254 . . . . 0.0 111.447 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -67.01 -44.02 81.39 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.004 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.44 -46.63 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 119.672 1.124 . . . . 0.0 110.486 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.7 -45.02 66.7 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -77.09 -18.78 57.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.27 1.828 . . . . 0.0 111.754 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mm -80.46 -46.31 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.09 1.356 . . . . 0.0 110.4 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -60.24 -34.83 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.291 0.496 . . . . 0.0 110.329 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.52 -36.78 57.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.333 -0.841 . . . . 0.0 113.047 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -70.19 -20.39 63.12 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.486 1.494 . . . . 0.0 113.763 171.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -70.15 -16.28 63.07 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.191 -0.943 . . . . 0.0 112.657 166.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 20.07 15.17 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.731 1.634 . . . . 0.0 115.078 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -108.4 -155.95 0.57 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.63 1.172 . . . . 0.0 110.404 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -160.17 142.94 13.47 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.641 1.577 . . . . 0.0 108.706 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.45 165.28 21.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -161.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.73 140.29 16.9 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.042 2.137 . . . . 0.0 108.585 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.74 125.23 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.499 0.72 . . . . 0.0 111.154 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.29 -50.3 4.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.456 1.902 . . . . 0.0 110.226 -165.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -151.62 141.38 21.87 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 125.73 1.612 . . . . 0.0 110.49 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -78.35 55.92 1.64 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.111 1.765 . . . . 0.0 110.202 160.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.251 1.162 0 C-N-CA 129.465 3.106 . . . . 0.0 112.886 -175.348 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 122.927 1.346 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.25 128.24 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.587 1.955 . . . . 0.0 110.533 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -103.64 159.74 15.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.587 1.155 . . . . 0.0 111.077 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -115.77 133.83 55.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.338 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -128.95 146.55 50.93 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.548 1.539 . . . . 0.0 111.074 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -132.68 129.13 38.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.904 0.882 . . . . 0.0 110.082 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -123.53 141.8 51.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.981 1.312 . . . . 0.0 111.051 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.12 125.16 48.74 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 108.176 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.4 t -140.67 139.39 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.393 1.077 . . . . 0.0 109.962 -163.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.9 t -68.75 118.18 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.97 0.508 . . . . 0.0 109.873 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.1 mtm -140.22 109.17 6.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.819 0.848 . . . . 0.0 110.875 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.0 -43.96 70.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.375 -176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -142.2 176.59 8.85 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -70.37 -12.0 61.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.207 1.403 . . . . 0.0 112.902 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 -38.16 16.33 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.45 1.5 . . . . 0.0 111.452 166.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.68 -52.77 59.18 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.427 1.114 . . . . 0.0 111.371 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.9 p -65.97 -19.36 65.83 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.085 -1.009 . . . . 0.0 112.847 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.36 -36.45 44.65 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.299 0.952 . . . . 0.0 112.438 172.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.49 71.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.885 0.874 . . . . 0.0 111.34 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.99 -49.08 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.261 0.624 . . . . 0.0 110.708 173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -52.43 -52.32 54.57 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.763 0.71 . . . . 0.0 111.609 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.64 -25.7 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -65.66 -45.76 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.505 1.048 . . . . 0.0 110.902 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.75 -35.1 62.6 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -64.77 -27.92 69.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 121.005 1.73 . . . . 0.0 113.49 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -62.93 -12.25 24.11 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.551 -1.343 . . . . 0.0 112.974 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.7 mt -106.31 18.52 21.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.605 1.962 . . . . 0.0 112.998 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -46.16 -33.42 2.32 Favored Pre-proline 0 N--CA 1.48 1.066 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 170.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -63.63 -16.07 52.51 Favored 'Trans proline' 0 C--N 1.354 0.844 0 CA-C-N 121.735 1.655 . . . . 0.0 114.206 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.72 -35.92 2.28 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.894 1.678 . . . . 0.0 114.128 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.1 t -93.57 120.78 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.185 1.794 . . . . 0.0 108.59 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.47 -20.86 14.94 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -165.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.58 135.55 8.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.546 1.539 . . . . 0.0 111.015 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -131.2 153.31 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.607 1.563 . . . . 0.0 110.448 166.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.26 114.99 6.42 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.214 1.006 . . . . 0.0 110.53 169.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.21 137.61 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.285 1.434 . . . . 0.0 110.534 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -129.93 92.32 3.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.399 1.48 . . . . 0.0 111.818 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.6 tp -54.96 -58.98 5.41 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.39 -35.95 76.95 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.748 1.158 . . . . 0.0 112.367 -170.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -91.15 5.46 48.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.802 1.241 . . . . 0.0 114.32 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 59.88 25.81 14.97 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.2 2.6 . . . . 0.0 115.387 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.96 153.68 22.72 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.787 1.235 . . . . 0.0 113.781 -172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 133.88 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.861 2.064 . . . . 0.0 109.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -113.66 132.62 55.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.02 1.728 . . . . 0.0 109.704 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 t -134.86 138.11 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.484 1.114 . . . . 0.0 111.981 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -127.03 120.45 29.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 111.792 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -163.96 160.28 21.75 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -87.86 -3.08 58.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.631 2.772 . . . . 0.0 113.618 168.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.16 153.06 77.02 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 124.363 1.065 . . . . 0.0 112.291 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.23 140.97 94.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.015 2.477 . . . . 0.0 113.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -50.9 -44.38 59.97 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.551 1.141 . . . . 0.0 111.718 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.34 -34.1 76.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.32 1.048 . . . . 0.0 113.778 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.0 -38.76 79.47 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.828 1.251 . . . . 0.0 111.04 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -66.44 -39.62 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.396 174.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.46 -48.44 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.564 1.075 . . . . 0.0 111.548 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.62 -44.66 95.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.435 0.694 . . . . 0.0 112.576 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.9 -37.51 82.48 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.992 1.269 . . . . 0.0 112.871 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.85 -52.15 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.257 0.935 . . . . 0.0 110.592 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.49 -31.44 71.42 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.958 -1.089 . . . . 0.0 112.966 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.68 -15.42 28.63 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.017 1.327 . . . . 0.0 114.523 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.5 p -63.99 -17.67 63.53 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.123 1.329 . . . . 0.0 113.945 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.84 -12.61 68.99 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.25 0.928 . . . . 0.0 114.377 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.94 174.68 10.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.859 1.264 . . . . 0.0 111.741 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.41 149.63 26.84 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.012 1.325 . . . . 0.0 112.403 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.71 122.81 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.671 1.988 . . . . 0.0 108.775 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -89.26 -34.53 16.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.51 1.524 . . . . 0.0 111.833 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -160.38 159.4 31.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 112.789 166.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.97 154.26 22.15 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.33 1.443 . . . . 0.0 112.001 166.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -155.56 152.79 29.24 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.59 120.9 42.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.262 2.225 . . . . 0.0 108.871 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.324 1.45 . . . . 0.0 113.025 -170.173 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 -160.68 -147.15 0.14 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.616 2.766 . . . . 0.0 109.21 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -156.44 161.68 40.06 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.044 2.138 . . . . 0.0 110.869 -174.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -153.16 141.85 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.919 1.288 . . . . 0.0 109.494 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.33 136.12 60.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.592 1.157 . . . . 0.0 107.936 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.28 149.44 45.7 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.191 0.996 . . . . 0.0 111.894 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.91 147.37 35.07 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.889 0.476 . . . . 0.0 110.303 166.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.01 108.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.016 1.326 . . . . 0.0 110.258 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -86.45 -23.91 25.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -163.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.78 -5.61 89.24 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 -167.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.6 ptp -81.31 147.48 29.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.431 1.092 . . . . 0.0 112.389 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -141.72 -30.0 0.6 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.7 168.02 28.42 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 122.282 1.039 . . . . 0.0 112.93 -161.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 88.4 p -71.85 22.6 0.05 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -167.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.06 -44.75 1.28 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.821 -1.174 . . . . 0.0 113.016 172.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.06 -32.91 74.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 p -58.53 -53.74 54.92 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.824 1.65 . . . . 0.0 112.599 173.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -26.02 68.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.261 0.937 . . . . 0.0 111.624 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.02 -36.49 7.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.273 1.429 . . . . 0.0 111.611 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.81 -50.12 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 119.097 -0.477 . . . . 0.0 110.083 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.92 -51.16 69.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.023 0.829 . . . . 0.0 111.456 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.8 m -48.96 -44.9 41.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.978 1.311 . . . . 0.0 112.713 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -90.65 -41.42 11.33 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.63 -37.5 62.79 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.138 1.335 . . . . 0.0 111.876 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.48 -23.97 53.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.671 1.123 . . . . 0.0 113.078 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.73 -4.47 59.18 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.164 1.386 . . . . 0.0 114.273 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.01 119.0 16.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.633 1.106 . . . . 0.0 109.614 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 111.63 1.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.67 -0.644 . . . . 0.0 109.489 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.42 -4.88 26.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.308 1.908 . . . . 0.0 115.268 -170.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -107.84 135.73 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.481 1.641 . . . . 0.0 109.17 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -102.93 -38.62 7.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.055 0.942 . . . . 0.0 112.97 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -158.84 153.27 24.18 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.706 1.202 . . . . 0.0 112.486 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -136.82 117.46 13.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.717 1.607 . . . . 0.0 111.819 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.58 163.94 11.98 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.025 1.73 . . . . 0.0 110.844 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -143.27 152.69 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.444 1.898 . . . . 0.0 109.352 -165.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.1 t -144.71 118.57 9.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.636 -1.29 . . . . 0.0 109.89 154.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.88 -29.69 25.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.697 1.999 . . . . 0.0 110.905 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -58.27 -26.11 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -124.4 6.65 8.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.275 1.43 . . . . 0.0 114.151 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.73 44.58 3.72 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.761 1.624 . . . . 0.0 113.674 169.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.4 159.82 39.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.07 1.348 . . . . 0.0 113.518 -170.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 58.9 m -140.07 146.76 39.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.004 1.322 . . . . 0.0 112.36 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -121.16 102.47 8.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.081 1.752 . . . . 0.0 108.991 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.15 135.85 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.689 1.596 . . . . 0.0 109.953 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.0 m -120.76 118.92 31.27 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 126.677 1.991 . . . . 0.0 106.763 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -154.6 -174.29 4.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.456 1.598 . . . . 0.0 110.997 -158.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.13 166.6 27.36 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 127.514 2.326 . . . . 0.0 113.153 -166.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -55.67 -21.62 19.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.635 1.574 . . . . 0.0 115.098 -162.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.6 -16.28 63.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.326 1.85 . . . . 0.0 114.448 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 95.4 t -124.37 149.41 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.727 1.611 . . . . 0.0 109.314 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -120.9 139.64 52.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.379 1.872 . . . . 0.0 108.922 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.07 -28.1 69.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.39 -21.06 66.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.799 1.64 . . . . 0.0 113.815 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -80.46 -41.33 24.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 110.882 168.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.4 -40.4 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.47 -0.769 . . . . 0.0 109.968 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -64.72 4.14 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.765 1.626 . . . . 0.0 114.97 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.1 -46.12 2.21 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.672 1.589 . . . . 0.0 109.181 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.13 -42.88 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.211 1.004 . . . . 0.0 112.204 174.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.18 -18.05 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.51 0.596 . . . . 0.0 112.164 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.75 -36.75 42.7 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.035 0.379 . . . . 0.0 110.335 167.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.63 -5.08 26.78 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.125 -0.984 . . . . 0.0 113.096 166.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.5 m -91.53 -9.35 44.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.634 1.174 . . . . 0.0 112.979 162.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.63 29.61 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.823 1.202 . . . . 0.0 115.301 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -118.9 -164.35 1.03 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.198 1.499 . . . . 0.0 111.02 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -164.17 140.38 6.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.74 2.816 . . . . 0.0 107.341 -172.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.2 p -167.73 169.74 11.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -149.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.9 144.22 16.23 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.071 1.748 . . . . 0.0 108.772 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -74.81 108.26 6.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 124.294 1.038 . . . . 0.0 108.219 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.51 -50.97 9.94 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -167.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -156.66 147.77 22.09 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.179 1.791 . . . . 0.0 111.634 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.29 61.39 0.64 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.764 2.426 . . . . 0.0 110.281 160.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.588 1.155 . . . . 0.0 114.099 -174.802 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 123.135 1.445 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.19 129.21 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.938 1.695 . . . . 0.0 110.412 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.84 158.57 18.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.697 1.199 . . . . 0.0 111.515 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.28 118.21 33.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.506 1.122 . . . . 0.0 111.092 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.93 144.72 42.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 124.559 1.144 . . . . 0.0 110.444 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -131.61 138.29 48.74 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.535 0.734 . . . . 0.0 109.489 171.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.58 135.1 48.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.776 1.231 . . . . 0.0 109.897 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -84.97 122.56 29.39 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 157.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.58 137.46 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.878 1.271 . . . . 0.0 109.615 -170.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.3 t -69.09 104.86 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.892 1.277 . . . . 0.0 109.31 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -141.36 138.21 32.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.986 0.915 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.32 4.28 9.72 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 t -149.63 151.79 34.35 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.124 1.37 . . . . 0.0 112.779 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 m -62.44 -12.29 20.96 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.344 1.057 . . . . 0.0 112.936 165.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -27.54 63.44 Favored Glycine 0 C--N 1.343 0.948 0 C-N-CA 123.987 0.803 . . . . 0.0 112.784 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.2 -49.44 43.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.816 1.308 . . . . 0.0 110.584 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -64.83 -32.13 73.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.365 -0.834 . . . . 0.0 112.348 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.28 95.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.241 -0.912 . . . . 0.0 112.587 170.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.03 80.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.544 1.137 . . . . 0.0 111.952 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.9 t -55.77 -49.82 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.519 0.727 . . . . 0.0 110.913 173.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.0 -38.0 78.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.735 0.698 . . . . 0.0 111.593 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -66.46 -51.14 60.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 0.0 113.12 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.41 -37.74 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.617 1.098 . . . . 0.0 111.453 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.5 -22.63 50.93 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -69.35 -13.31 62.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.645 1.178 . . . . 0.0 113.146 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -79.86 -8.39 59.27 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.668 1.187 . . . . 0.0 113.75 167.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.8 mt -123.28 18.12 9.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.499 1.919 . . . . 0.0 113.154 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -59.04 -28.2 4.37 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 116.743 -1.598 . . . . 0.0 115.192 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.25 -22.5 74.24 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 CA-C-N 122.039 1.764 . . . . 0.0 113.424 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -108.2 -34.24 6.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.747 1.219 . . . . 0.0 113.503 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.84 119.82 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.38 1.472 . . . . 0.0 109.944 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.6 p -86.4 -28.24 23.69 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -155.06 140.84 18.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.638 1.175 . . . . 0.0 113.572 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -119.32 139.09 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.387 2.275 . . . . 0.0 107.824 167.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -155.11 140.13 17.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 109.735 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 mt -129.81 139.13 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.794 0.838 . . . . 0.0 110.941 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -125.36 74.52 1.39 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.323 1.849 . . . . 0.0 110.589 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.25 -36.68 43.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.887 2.075 . . . . 0.0 113.95 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.0 -21.98 65.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.319 1.048 . . . . 0.0 113.609 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -116.76 22.72 12.47 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.73 2.012 . . . . 0.0 112.565 164.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 55.52 14.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.778 2.831 . . . . 0.0 117.071 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.31 3.8 pp -104.88 151.94 23.24 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -119.92 130.05 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.214 2.205 . . . . 0.0 108.496 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.91 122.1 43.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.024 1.73 . . . . 0.0 110.201 171.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.66 139.79 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.443 1.097 . . . . 0.0 109.963 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -124.57 121.83 35.87 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 110.163 166.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -167.2 160.48 13.77 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.5 p -86.97 -5.01 59.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.953 2.501 . . . . 0.0 113.805 168.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.33 155.6 93.18 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.952 1.301 . . . . 0.0 111.966 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.94 150.04 77.92 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.724 2.95 . . . . 0.0 112.614 171.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.26 -44.77 88.52 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.558 0.743 . . . . 0.0 112.031 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.725 1.21 . . . . 0.0 113.401 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -68.74 -37.57 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.438 0.695 . . . . 0.0 111.519 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mm -69.01 -37.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.369 -0.832 . . . . 0.0 111.308 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.76 -43.05 76.35 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.058 0.844 . . . . 0.0 111.751 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.98 -41.51 70.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.871 1.268 . . . . 0.0 112.933 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.07 -36.13 83.02 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.321 -1.487 . . . . 0.0 112.28 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -45.67 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.349 0.977 . . . . 0.0 110.849 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -56.92 -44.52 82.52 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 111.868 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.85 -37.99 89.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.3 m -61.29 -33.93 74.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.313 1.445 . . . . 0.0 110.515 171.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.7 12.7 27.64 Favored Glycine 0 N--CA 1.466 0.649 0 C-N-CA 124.795 1.188 . . . . 0.0 114.731 167.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -108.19 152.09 25.05 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.817 1.308 . . . . 0.0 112.084 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.69 139.13 31.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.342 -0.849 . . . . 0.0 111.862 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.55 132.73 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 109.26 167.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -80.18 -58.69 3.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.16 0.584 . . . . 0.0 110.113 167.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -161.2 147.45 14.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.849 1.26 . . . . 0.0 111.69 165.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.06 170.93 25.75 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 125.326 1.441 . . . . 0.0 112.924 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -168.52 160.79 11.26 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.746 1.219 . . . . 0.0 113.444 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.45 142.25 33.13 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 167.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.015 1.726 . . . . 0.0 112.806 -176.063 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.269 0.556 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -112.2 122.92 49.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 129.809 3.244 . . . . 0.0 106.509 -176.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.43 139.13 57.85 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.288 1.435 . . . . 0.0 110.572 166.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.81 139.91 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.807 1.243 . . . . 0.0 107.747 155.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.9 130.47 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 171.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.36 145.47 39.05 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.781 0.832 . . . . 0.0 111.374 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.86 141.81 44.19 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.772 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -132.24 102.03 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.64 -21.74 55.06 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -157.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.49 70.71 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.095 1.331 . . . . 0.0 116.188 -172.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ptm -80.02 176.17 9.98 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.154 1.477 . . . . 0.0 112.15 171.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 -37.55 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.59 1.156 . . . . 0.0 112.424 163.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -121.06 -178.15 3.68 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 123.002 1.382 . . . . 0.0 114.073 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 46.7 m -77.95 6.12 8.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.221 1.408 . . . . 0.0 114.233 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.73 -50.72 3.22 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.637 1.108 . . . . 0.0 112.746 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p -66.08 -31.63 72.62 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.797 1.18 . . . . 0.0 113.212 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.55 -42.81 99.77 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.782 2.433 . . . . 0.0 114.059 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -13.22 62.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.343 1.428 . . . . 0.0 113.427 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -47.69 -45.15 28.15 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.689 1.595 . . . . 0.0 110.632 162.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.89 -57.52 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.724 1.209 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.99 -47.81 71.04 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.392 0.996 . . . . 0.0 113.283 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -48.61 -49.37 37.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.896 1.278 . . . . 0.0 112.091 171.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.35 -41.99 19.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.06 -43.89 64.19 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.872 1.269 . . . . 0.0 111.446 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -56.09 -30.98 62.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.827 1.194 . . . . 0.0 113.22 172.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.32 31.22 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.89 17.59 0.31 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.269 19.0 ptpt 43.67 45.14 5.76 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.715 2.006 . . . . 0.0 114.623 176.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.91 11.09 0.03 OUTLIER Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.797 1.665 . . . . 0.0 116.565 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.71 130.88 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.027 1.731 . . . . 0.0 108.662 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -101.77 -19.49 15.33 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.79 120.96 2.06 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.692 1.197 . . . . 0.0 110.859 -174.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 81.3 m -112.54 131.16 55.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.082 1.353 . . . . 0.0 112.276 168.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -148.17 168.94 21.15 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.407 1.483 . . . . 0.0 110.35 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 53.5 mt -147.18 135.82 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 125.393 1.477 . . . . 0.0 110.102 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.4 m -94.44 108.91 20.82 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.27 -39.75 53.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -162.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.14 -41.5 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.8 0.84 . . . . 0.0 110.943 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.04 -5.7 57.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.394 1.478 . . . . 0.0 114.246 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.3 36.39 3.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.142 1.777 . . . . 0.0 113.46 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -134.98 137.48 43.08 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.674 1.19 . . . . 0.0 111.578 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 79.2 m -102.9 139.46 38.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.976 1.31 . . . . 0.0 111.294 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -112.14 96.57 6.11 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.104 2.162 . . . . 0.0 106.658 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -124.55 129.84 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 0.0 111.434 -175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -120.3 133.48 55.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 109.421 -172.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -150.65 134.09 16.37 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 123.311 1.529 . . . . 0.0 110.349 -160.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -70.71 159.71 33.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.597 165.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -6.5 4.98 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.292 1.437 . . . . 0.0 114.348 -172.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.52 -29.79 59.51 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.381 1.872 . . . . 0.0 112.389 163.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.64 159.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.966 2.107 . . . . 0.0 108.363 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.9 p -132.49 150.51 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.033 1.333 . . . . 0.0 110.884 173.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.13 69.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.139 0.576 . . . . 0.0 111.743 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.75 -23.54 64.34 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -75.49 -42.76 52.07 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.714 -0.616 . . . . 0.0 110.771 168.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.06 -43.37 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.787 -0.571 . . . . 0.0 109.7 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.91 -0.74 0.52 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 127.373 2.269 . . . . 0.0 115.093 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -119.47 -46.15 2.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.625 1.97 . . . . 0.0 109.302 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -55.02 -45.04 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.86 1.664 . . . . 0.0 112.406 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.63 -23.43 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.161 0.984 . . . . 0.0 111.977 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.61 -28.73 26.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.203 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -20.55 59.97 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 167.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.87 -11.82 60.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 113.082 163.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.7 29.68 25.96 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 118.414 -1.215 . . . . 0.0 115.547 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -116.52 -161.28 0.79 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.538 1.669 . . . . 0.0 110.651 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.44 144.76 20.99 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.283 2.233 . . . . 0.0 108.471 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.4 p -148.07 167.9 23.76 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -167.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.56 131.91 20.79 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.515 1.926 . . . . 0.0 106.405 163.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mm -72.0 108.15 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.73 -45.89 13.85 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -161.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -164.13 144.05 7.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.808 1.643 . . . . 0.0 111.896 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.29 30.89 0.1 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.306 2.242 . . . . 0.0 112.677 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 126.23 1.812 . . . . 0.0 114.446 -171.9 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 121.345 0.593 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.258 61.1 mt 45.27 95.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 129.513 3.125 . . . . 0.0 114.954 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -82.93 154.22 24.67 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.577 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -106.4 127.61 53.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.382 1.073 . . . . 0.0 109.729 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.66 147.73 46.1 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.986 1.314 . . . . 0.0 109.996 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -142.98 137.9 29.68 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.478 0.711 . . . . 0.0 109.737 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.34 138.71 41.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.305 1.442 . . . . 0.0 110.531 -172.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -97.87 112.0 24.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.256 1.023 . . . . 0.0 108.798 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.41 135.94 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.535 1.534 . . . . 0.0 108.705 -163.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.85 112.72 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.6 mtm -134.72 78.73 1.76 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.68 1.192 . . . . 0.0 109.819 -175.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.451 1.5 . . . . 0.0 112.614 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.7 -158.61 0.68 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.526 2.331 . . . . 0.0 112.816 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -121.72 -22.77 5.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.406 -1.434 . . . . 0.0 114.837 -165.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.53 -12.84 64.15 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.7 1.143 . . . . 0.0 113.828 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.3 -50.48 67.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.327 1.851 . . . . 0.0 112.186 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p -59.54 -39.62 84.54 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.002 0.921 . . . . 0.0 112.018 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.03 91.59 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.464 -0.631 . . . . 0.0 112.085 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 -53.9 14.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.817 1.247 . . . . 0.0 112.431 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.23 -38.21 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 118.767 0.712 . . . . 0.0 111.266 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.31 -44.64 95.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.525 0.73 . . . . 0.0 111.428 171.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.77 -44.47 96.09 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.069 -1.019 . . . . 0.0 112.717 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.76 -38.98 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 119.58 1.082 . . . . 0.0 111.587 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.86 -30.87 61.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.5 m -67.7 -12.74 61.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.852 1.261 . . . . 0.0 112.82 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -50.92 -20.88 1.47 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.7 1.2 . . . . 0.0 113.327 161.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 mt -116.92 25.38 10.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.502 1.921 . . . . 0.0 113.449 -169.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -50.14 -32.05 5.31 Favored Pre-proline 0 N--CA 1.479 0.999 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.61 -14.05 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 CA-C-N 121.93 1.725 . . . . 0.0 114.544 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -126.45 -27.44 3.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.922 1.289 . . . . 0.0 113.895 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -90.86 121.47 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.117 1.767 . . . . 0.0 110.004 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -79.25 -45.97 18.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.56 1.144 . . . . 0.0 112.135 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -158.15 147.61 19.63 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.205 1.402 . . . . 0.0 112.207 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -121.64 143.09 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.609 1.964 . . . . 0.0 107.88 164.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -142.29 134.46 27.54 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.229 1.012 . . . . 0.0 112.185 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mm -105.5 133.62 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.178 1.391 . . . . 0.0 112.56 -170.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -124.83 73.04 1.25 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.403 1.881 . . . . 0.0 109.633 171.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.66 -45.02 90.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.975 1.71 . . . . 0.0 114.632 -164.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -72.14 -26.61 62.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.896 0.878 . . . . 0.0 111.988 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -92.81 6.01 49.15 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.933 1.693 . . . . 0.0 112.941 167.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 60.66 21.58 11.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.827 2.451 . . . . 0.0 114.717 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.31 144.73 28.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.019 1.328 . . . . 0.0 112.622 -172.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -127.85 132.76 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.329 1.852 . . . . 0.0 108.755 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.7 140.9 44.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.729 1.611 . . . . 0.0 110.579 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.7 t -135.03 144.53 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.08 1.352 . . . . 0.0 110.154 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.72 117.81 22.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.105 1.762 . . . . 0.0 110.084 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.0 154.83 13.3 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.065 -1.022 . . . . 0.0 112.993 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 m -89.08 2.9 53.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.591 1.957 . . . . 0.0 112.009 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.35 167.24 37.71 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.009 1.724 . . . . 0.0 113.46 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.12 145.66 85.16 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.576 2.85 . . . . 0.0 111.944 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.58 -45.9 90.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.764 0.826 . . . . 0.0 112.518 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.71 -35.78 75.22 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.516 1.126 . . . . 0.0 112.784 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.12 -31.49 72.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 122.122 -0.361 . . . . 0.0 111.354 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.97 -39.94 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.064 -1.022 . . . . 0.0 111.295 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.1 mt -58.23 -45.87 86.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.254 0.934 . . . . 0.0 111.406 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.99 -38.63 89.33 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.488 1.515 . . . . 0.0 113.142 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.52 -37.7 71.16 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.715 0.689 . . . . 0.0 112.34 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.87 -53.35 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.621 0.768 . . . . 0.0 110.056 171.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -59.45 -34.35 72.41 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.591 -0.693 . . . . 0.0 112.661 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -59.71 -24.08 63.69 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.1 p -66.0 -38.29 88.1 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.4 1.455 . . . . 0.0 112.74 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -6.45 77.79 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.535 1.064 . . . . 0.0 113.791 -171.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -73.65 152.24 40.55 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.363 1.082 . . . . 0.0 110.028 165.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.98 147.66 23.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.813 0.845 . . . . 0.0 112.096 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.55 129.17 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.323 1.449 . . . . 0.0 110.776 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.43 -48.7 8.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.024 1.329 . . . . 0.0 112.34 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -166.45 162.81 17.15 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.482 1.113 . . . . 0.0 111.127 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.71 167.97 26.5 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 124.061 0.839 . . . . 0.0 113.752 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -145.05 155.21 43.22 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.6 114.99 29.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.212 2.205 . . . . 0.0 106.837 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.446 -167.66 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.101 0.477 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 49.4 ttt180 -117.22 -175.75 2.86 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 127.732 2.413 . . . . 0.0 108.268 164.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' B' ' 2' ' ' ARG . 61.8 mm-40 -140.35 156.63 46.35 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.765 3.226 . . . . 0.0 111.172 -167.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.59 138.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.67 2.388 . . . . 0.0 110.008 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 122.25 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.321 1.048 . . . . 0.0 109.253 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.61 146.86 35.4 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.631 1.572 . . . . 0.0 110.141 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.13 151.04 25.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.441 158.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -133.38 104.41 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.79 1.636 . . . . 0.0 107.956 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.78 -17.04 32.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.041 1.336 . . . . 0.0 112.741 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 -4.1 73.32 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.989 1.28 . . . . 0.0 115.273 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.5 ptp -86.5 161.55 18.52 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.66 1.23 . . . . 0.0 112.474 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -162.78 -43.81 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.196 1.399 . . . . 0.0 113.21 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.51 -90.6 0.09 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.044 1.338 . . . . 0.0 114.401 -163.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 13.1 p -165.51 -81.97 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.068 1.347 . . . . 0.0 112.475 -168.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -14.53 63.06 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.806 1.242 . . . . 0.0 114.238 -167.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.7 m -55.68 -29.42 59.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.27 1.428 . . . . 0.0 114.621 163.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.1 p -64.57 -50.38 67.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 119.397 0.999 . . . . 0.0 110.875 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -28.25 69.04 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 118.089 -0.957 . . . . 0.0 111.754 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.4 m -55.16 -34.54 63.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.273 0.942 . . . . 0.0 110.896 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.84 -49.75 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.621 1.1 . . . . 0.0 110.693 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -65.18 -49.27 70.42 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.973 1.261 . . . . 0.0 112.067 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.6 m -50.43 -33.2 20.06 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.39 1.076 . . . . 0.0 113.5 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -86.84 -49.67 7.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.972 1.26 . . . . 0.0 113.994 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.64 -37.81 82.95 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.287 0.949 . . . . 0.0 111.558 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -55.39 -27.09 45.36 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.661 1.118 . . . . 0.0 113.183 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.41 -0.24 55.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.726 1.61 . . . . 0.0 114.551 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -81.43 98.84 8.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 158.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.26 111.95 1.23 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.982 -0.449 . . . . 0.0 110.133 -173.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.3 -18.02 8.38 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.29 1.424 . . . . 0.0 114.775 -169.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.34 124.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.613 2.206 . . . . 0.0 108.862 166.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -40.21 9.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.003 1.321 . . . . 0.0 111.304 -169.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -163.81 134.41 4.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.564 1.146 . . . . 0.0 111.576 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.46 118.08 33.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.44 1.496 . . . . 0.0 111.348 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -110.1 148.33 31.94 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.309 1.844 . . . . 0.0 110.236 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -145.67 142.78 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.266 1.826 . . . . 0.0 109.973 -167.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 118.66 21.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.708 1.203 . . . . 0.0 110.448 163.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -78.02 -38.09 45.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.598 1.959 . . . . 0.0 111.336 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.22 -32.78 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.0 0.818 . . . . 0.0 112.08 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -106.86 -4.81 18.82 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.462 1.905 . . . . 0.0 113.598 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 68.57 39.93 2.0 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.444 1.897 . . . . 0.0 113.345 170.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -139.51 164.87 28.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.863 1.665 . . . . 0.0 112.676 -170.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -153.44 148.07 26.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.905 0.882 . . . . 0.0 113.045 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -121.22 109.83 15.43 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.037 1.735 . . . . 0.0 107.968 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.53 128.64 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.556 1.542 . . . . 0.0 110.435 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 53.6 m -109.55 132.92 53.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.477 1.911 . . . . 0.0 106.606 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.22 127.14 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 123.665 1.698 . . . . 0.0 113.261 -163.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -68.31 163.99 21.74 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.728 2.411 . . . . 0.0 113.397 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.16 -4.18 9.57 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -169.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.77 -10.27 59.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.511 1.524 . . . . 0.0 113.226 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.4 155.18 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.737 2.015 . . . . 0.0 109.968 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.6 p -124.22 154.5 40.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.004 1.322 . . . . 0.0 112.388 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.78 67.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.38 -18.48 55.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.137 0.88 . . . . 0.0 112.724 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -72.03 -50.49 28.04 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.17 164.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.95 -51.55 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.845 0.858 . . . . 0.0 110.619 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.89 20.15 0.08 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -135.97 -37.27 0.73 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.328 1.851 . . . . 0.0 110.254 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mm -61.25 -42.92 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.543 1.137 . . . . 0.0 111.623 168.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.3 -24.59 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.045 0.839 . . . . 0.0 111.015 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -83.76 -32.41 25.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.17 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.21 -14.76 60.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.691 1.196 . . . . 0.0 112.961 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -74.12 -11.91 60.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.99 0.916 . . . . 0.0 112.445 161.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 11.07 59.82 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.714 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.16 -152.24 0.28 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.99 1.395 . . . . 0.0 110.657 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.95 149.43 28.21 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 127.207 2.203 . . . . 0.0 105.665 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -156.58 176.91 12.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.533 0.682 . . . . 0.0 112.74 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -163.3 140.52 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.641 1.176 . . . . 0.0 108.455 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 99.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.1 -48.32 11.51 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.737 1.215 . . . . 0.0 108.443 -165.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -152.56 166.58 31.61 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.661 1.585 . . . . 0.0 110.113 165.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -77.41 6.69 6.47 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 126.864 2.066 . . . . 0.0 115.496 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.253 1.285 0 C-N-CA 131.537 3.935 . . . . 0.0 113.273 -179.578 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.71 120.61 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -91.68 162.67 14.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.279 1.832 . . . . 0.0 110.856 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.38 131.71 45.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.628 1.571 . . . . 0.0 110.441 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -136.48 155.63 49.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.052 1.341 . . . . 0.0 112.137 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -131.11 155.51 46.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.637 1.175 . . . . 0.0 110.554 164.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 148.39 48.37 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.812 2.045 . . . . 0.0 109.24 170.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -111.77 127.79 55.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.377 166.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.72 147.23 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.825 1.65 . . . . 0.0 109.208 -165.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -72.05 85.93 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.33 0.652 . . . . 0.0 109.276 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.6 tpp -92.96 112.23 24.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.101 1.36 . . . . 0.0 109.925 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 p -96.65 -24.17 16.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -176.72 167.74 2.6 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.121 1.769 . . . . 0.0 112.59 -162.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.59 -25.18 62.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.641 1.176 . . . . 0.0 113.312 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.71 -26.04 68.28 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.095 0.855 . . . . 0.0 113.512 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -68.23 -57.43 6.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.668 1.187 . . . . 0.0 109.37 168.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -52.05 -42.64 63.3 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.703 1.201 . . . . 0.0 112.407 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.03 68.87 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-O 118.909 -0.939 . . . . 0.0 113.273 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.36 65.99 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.019 0.91 . . . . 0.0 111.066 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.59 -51.09 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.616 0.767 . . . . 0.0 110.294 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.27 -44.7 84.18 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.72 -0.613 . . . . 0.0 112.171 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -66.42 -26.63 67.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.87 -41.81 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 120.846 -1.159 . . . . 0.0 111.457 168.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.04 -27.91 43.18 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -61.53 -18.02 57.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 121.012 1.733 . . . . 0.0 113.619 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -61.05 -17.7 53.82 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.843 1.257 . . . . 0.0 113.869 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.34 13.42 14.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.257 1.423 . . . . 0.0 114.075 -168.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.59 -24.39 1.42 Allowed Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -62.96 -21.0 72.92 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 CA-C-N 121.968 1.739 . . . . 0.0 114.009 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -119.98 -32.78 4.12 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.877 1.671 . . . . 0.0 113.179 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -87.32 121.16 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.81 1.644 . . . . 0.0 109.333 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.7 p -102.46 -22.48 14.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -153.16 143.79 22.68 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.63 1.172 . . . . 0.0 112.016 170.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.41 149.04 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.664 1.985 . . . . 0.0 108.31 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -150.84 117.0 5.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.464 1.106 . . . . 0.0 111.375 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.58 130.15 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.533 1.133 . . . . 0.0 110.958 -170.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -109.09 157.76 18.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.001 0.92 . . . . 0.0 111.769 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -106.86 -58.26 1.96 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.066 0.946 . . . . 0.0 109.473 173.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.68 -39.37 80.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.095 1.358 . . . . 0.0 112.371 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -91.47 1.01 57.43 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.22 4.04 0.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.733 2.413 . . . . 0.0 115.465 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.277 0.8 OUTLIER -102.21 150.36 23.37 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -121.07 134.67 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 127.938 2.495 . . . . 0.0 107.687 173.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.14 130.98 53.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.203 1.801 . . . . 0.0 110.028 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.46 142.92 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.725 0.81 . . . . 0.0 112.099 -168.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -122.01 130.85 53.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.374 1.869 . . . . 0.0 111.222 162.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.5 t -166.25 153.48 9.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 111.806 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 p -74.14 -10.54 59.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.233 1.813 . . . . 0.0 113.475 169.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.98 152.36 79.67 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.655 1.182 . . . . 0.0 113.768 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.53 153.15 60.44 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.716 2.944 . . . . 0.0 111.727 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.76 -39.24 76.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -169.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.17 -38.59 80.14 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.365 1.066 . . . . 0.0 113.266 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.0 -41.56 83.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.074 0.55 . . . . 0.0 111.421 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mm -70.33 -40.95 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.503 0.721 . . . . 0.0 110.932 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.24 -47.61 78.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.112 0.565 . . . . 0.0 110.665 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -71.66 -23.15 61.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.16 -53.46 37.29 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.804 1.184 . . . . 0.0 110.757 161.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.66 -39.08 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.389 0.995 . . . . 0.0 112.305 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -69.17 -25.95 64.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.469 1.108 . . . . 0.0 112.136 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -79.33 -25.51 42.31 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.972 -1.08 . . . . 0.0 113.907 167.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.8 m -73.39 -29.69 62.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.172 1.789 . . . . 0.0 114.312 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.44 -7.94 63.17 Favored Glycine 0 N--CA 1.476 1.347 0 N-CA-C 117.126 1.611 . . . . 0.0 117.126 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 149.65 27.14 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.18 1.49 . . . . 0.0 110.491 167.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.95 138.11 31.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.386 0.613 . . . . 0.0 111.638 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.03 144.07 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.921 2.088 . . . . 0.0 109.667 -170.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -115.29 -38.53 3.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.903 1.281 . . . . 0.0 114.138 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -169.32 -177.21 2.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.544 1.138 . . . . 0.0 111.279 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.34 158.52 13.34 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.136 1.351 . . . . 0.0 113.188 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.54 159.33 39.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.23 145.57 24.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.067 1.347 . . . . 0.0 109.989 163.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.254 1.299 0 C-N-CA 124.697 1.199 . . . . 0.0 113.266 -178.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 121.052 0.453 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -94.07 94.72 8.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.04 2.136 . . . . 0.0 110.416 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.56 132.04 52.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.769 1.228 . . . . 0.0 109.812 164.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.63 151.51 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.8 1.64 . . . . 0.0 110.559 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.98 130.74 66.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.2 1.0 . . . . 0.0 109.231 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.34 145.48 46.13 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.208 1.403 . . . . 0.0 110.076 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.49 140.13 31.69 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.035 163.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.8 t -124.59 118.58 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 126.054 1.742 . . . . 0.0 108.431 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -84.77 28.81 0.65 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.92 1.688 . . . . 0.0 114.156 -166.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.09 29.37 0.36 Allowed Glycine 0 N--CA 1.475 1.247 0 O-C-N 120.74 -1.225 . . . . 0.0 116.017 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mmm -77.13 83.84 3.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.881 1.272 . . . . 0.0 112.24 -171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -80.89 -61.47 1.95 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.762 1.625 . . . . 0.0 113.723 -171.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -153.93 -178.74 7.27 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.915 1.286 . . . . 0.0 112.376 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 60.5 m -69.17 -41.26 77.45 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.63 -1.294 . . . . 0.0 112.499 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.19 68.56 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.599 0.76 . . . . 0.0 112.505 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.6 m -71.26 -45.4 63.26 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.362 1.065 . . . . 0.0 113.342 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.4 p -95.29 -34.73 12.07 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 116.288 -1.815 . . . . 0.0 115.582 -157.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -18.38 64.44 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.547 2.43 . . . . 0.0 112.275 174.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -50.04 -38.06 36.03 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.579 1.152 . . . . 0.0 111.616 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.45 -50.69 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -48.72 80.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.343 -0.836 . . . . 0.0 112.291 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.5 m -54.5 -33.88 60.67 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 120.156 1.343 . . . . 0.0 113.53 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -89.02 -36.3 15.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.28 -42.13 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.408 1.003 . . . . 0.0 111.651 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.15 -19.96 36.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.688 0.795 . . . . 0.0 112.658 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.5 -12.77 60.03 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.74 123.86 28.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.483 1.038 . . . . 0.0 110.965 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.43 103.37 1.02 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.352 1.461 . . . . 0.0 110.49 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.56 -2.65 18.05 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.619 1.581 . . . . 0.0 115.992 -173.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.03 136.56 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 120.236 2.018 . . . . 0.0 109.481 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -103.24 -35.58 8.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 0.0 112.403 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -157.48 138.59 13.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.788 1.635 . . . . 0.0 110.635 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 p -137.25 146.17 44.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.358 1.463 . . . . 0.0 111.283 172.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -168.66 -179.46 3.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.211 1.404 . . . . 0.0 112.503 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.36 167.03 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 126.522 1.929 . . . . 0.0 112.95 -173.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 71.6 m -153.38 124.26 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.124 1.37 . . . . 0.0 111.033 171.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.53 -39.15 67.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.1 1.36 . . . . 0.0 114.033 -172.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -69.63 -27.34 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.593 1.088 . . . . 0.0 112.687 -168.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -111.15 5.78 20.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.853 1.661 . . . . 0.0 112.693 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 62.37 38.81 12.75 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.868 1.667 . . . . 0.0 112.987 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.41 157.06 30.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -166.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 t -114.07 135.01 54.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.964 2.106 . . . . 0.0 109.327 167.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -118.09 110.6 17.83 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.62 1.968 . . . . 0.0 105.939 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.72 144.21 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.744 0.818 . . . . 0.0 112.712 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -136.16 138.12 41.64 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.32 1.848 . . . . 0.0 107.495 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -156.47 145.46 20.32 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.92 1.819 . . . . 0.0 111.059 -167.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.55 165.66 21.89 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.963 2.505 . . . . 0.0 113.556 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -60.35 -9.46 3.56 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.21 2.04 48.52 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.886 1.274 . . . . 0.0 113.113 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.86 161.71 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.987 2.115 . . . . 0.0 109.832 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -146.34 146.94 30.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.736 1.614 . . . . 0.0 111.745 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.05 -25.67 65.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.659 1.184 . . . . 0.0 113.614 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.43 -20.82 62.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.235 1.014 . . . . 0.0 112.882 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -72.94 -42.87 62.98 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.62 -0.675 . . . . 0.0 110.698 165.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.8 -36.99 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.228 -0.92 . . . . 0.0 110.497 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -58.87 -15.67 13.72 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -99.79 -41.72 7.14 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.067 1.747 . . . . 0.0 109.192 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 mm -58.86 -47.05 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.409 1.484 . . . . 0.0 112.732 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.33 -26.85 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 118.912 0.778 . . . . 0.0 110.714 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.22 -32.28 55.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.023 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.24 -31.81 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.769 1.168 . . . . 0.0 112.716 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.8 m -70.79 -13.91 62.23 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.964 1.306 . . . . 0.0 113.68 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.98 26.3 19.66 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.19 0.9 . . . . 0.0 114.539 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -127.72 -154.98 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.374 1.47 . . . . 0.0 108.967 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -163.64 148.71 10.88 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.831 1.652 . . . . 0.0 108.427 173.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.8 p -138.95 165.99 25.65 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -137.63 139.26 40.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.643 1.977 . . . . 0.0 107.783 168.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 13.4 tt -72.97 111.74 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.45 -35.27 19.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.188 0.995 . . . . 0.0 109.2 -164.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -170.62 162.99 8.12 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.99 1.716 . . . . 0.0 111.378 167.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.61 27.66 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.259 2.624 . . . . 0.0 114.146 168.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . 0.253 54.2 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 129.556 3.142 . . . . 0.0 114.489 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.5 mt 63.28 135.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 129.638 3.175 . . . . 0.0 114.935 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.8 162.86 15.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 111.4 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CE1' HE22 ' A' ' 8' ' ' GLN . 25.8 t60 -150.34 133.61 16.32 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.499 -1.376 . . . . 0.0 113.569 -169.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -145.7 158.14 43.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.915 1.286 . . . . 0.0 112.975 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.411 HE22 ' CE1' ' A' ' 6' ' ' HIS . 13.3 mp0 -128.73 130.02 46.53 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.514 1.526 . . . . 0.0 110.66 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -121.91 140.61 52.21 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.106 1.362 . . . . 0.0 111.56 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -91.42 129.86 37.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.939 1.296 . . . . 0.0 111.339 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 t -118.35 141.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.043 1.737 . . . . 0.0 109.997 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.19 110.47 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.201 1.401 . . . . 0.0 107.696 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.4 mmt -79.79 127.93 32.82 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.136 0.575 . . . . 0.0 110.385 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -129.98 -84.73 0.54 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.524 2.33 . . . . 0.0 107.15 -171.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.95 -170.93 2.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.377 1.871 . . . . 0.0 112.518 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 m -70.97 -8.29 52.16 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 166.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.91 -50.73 4.79 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 125.592 1.568 . . . . 0.0 112.749 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -61.21 -40.56 94.44 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.8 1.3 . . . . 0.0 112.496 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -68.33 -25.39 65.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.68 0.792 . . . . 0.0 113.131 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -43.45 56.34 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 121.273 -0.892 . . . . 0.0 111.707 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.57 66.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.57 1.148 . . . . 0.0 112.657 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 p -62.08 -40.24 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.721 0.691 . . . . 0.0 111.73 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.18 -40.41 81.42 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.526 -0.734 . . . . 0.0 111.397 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.83 -34.85 77.53 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.506 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.72 -48.93 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 119.799 1.181 . . . . 0.0 111.05 172.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.57 -24.32 49.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.698 0.799 . . . . 0.0 113.11 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 m -74.1 -10.75 59.93 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.44 1.496 . . . . 0.0 112.535 173.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -70.41 -18.59 63.02 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.626 -1.296 . . . . 0.0 113.042 167.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 mt -114.4 30.77 7.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.57 1.548 . . . . 0.0 113.236 -164.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -53.25 -42.84 93.33 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 -164.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.86 -6.51 18.22 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 CA-C-N 122.205 1.823 . . . . 0.0 112.718 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -117.51 -26.34 6.67 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.371 1.068 . . . . 0.0 112.87 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -109.11 113.61 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.391 1.877 . . . . 0.0 108.832 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -88.87 -29.3 19.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -154.03 140.5 18.77 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.262 1.025 . . . . 0.0 113.132 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -129.81 141.6 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 127.173 2.189 . . . . 0.0 107.756 172.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 142.96 22.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.196 0.998 . . . . 0.0 110.336 165.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -112.61 145.35 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.143 1.377 . . . . 0.0 110.859 -173.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m -129.85 86.58 2.42 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.372 1.469 . . . . 0.0 111.112 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.77 -45.35 78.15 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -68.89 -42.73 76.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.422 1.01 . . . . 0.0 111.818 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.45 -15.62 62.34 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.169 1.388 . . . . 0.0 113.271 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 70.63 22.9 4.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.616 2.366 . . . . 0.0 112.799 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.3 mt -112.53 161.32 16.89 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.619 1.568 . . . . 0.0 113.814 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.21 137.25 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.154 2.182 . . . . 0.0 108.56 165.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -103.25 133.05 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.929 1.692 . . . . 0.0 109.815 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.14 138.59 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.473 1.109 . . . . 0.0 110.653 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.16 136.75 52.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.039 1.736 . . . . 0.0 110.913 169.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -171.52 156.86 4.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.942 0.897 . . . . 0.0 112.037 -166.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.9 p -86.67 -7.79 58.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.474 1.51 . . . . 0.0 113.052 168.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.29 147.05 78.92 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.842 1.257 . . . . 0.0 111.657 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.82 155.02 30.55 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.299 2.666 . . . . 0.0 111.868 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.15 -40.08 92.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.444 0.698 . . . . 0.0 112.584 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.03 -10.81 24.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.729 1.611 . . . . 0.0 113.993 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.27 -43.44 6.6 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.511 1.124 . . . . 0.0 111.703 167.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.48 -35.71 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -51.45 -52.5 45.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.082 1.353 . . . . 0.0 111.604 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -74.03 -11.59 60.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.767 1.627 . . . . 0.0 114.154 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -85.37 -44.26 12.95 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.21 1.004 . . . . 0.0 112.805 162.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 tt -80.26 -38.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.375 0.988 . . . . 0.0 113.396 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.92 -26.98 65.36 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.113 1.324 . . . . 0.0 112.461 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -61.21 -3.79 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 p -54.82 -60.68 3.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.621 1.568 . . . . 0.0 112.229 164.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.96 6.74 55.9 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 124.636 1.112 . . . . 0.0 115.876 -176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -162.87 152.04 15.09 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.691 1.246 . . . . 0.0 113.196 167.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.316 81.8 mt-10 71.46 17.63 5.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 152.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 t -112.52 134.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.067 1.347 . . . . 0.0 108.598 161.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -102.57 -45.04 5.16 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -173.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -172.56 169.28 5.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.389 1.075 . . . . 0.0 111.176 -167.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.47 179.23 28.28 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 124.296 0.951 . . . . 0.0 114.023 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -176.54 165.03 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.403 1.881 . . . . 0.0 113.616 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -92.21 133.53 35.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.81 1.244 . . . . 0.0 110.023 161.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.675 1.59 . . . . 0.0 113.324 -176.44 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.55 98.91 1.54 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 126.24 1.816 . . . . 0.0 110.729 -177.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.39 166.38 16.82 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.597 2.359 . . . . 0.0 112.666 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.2 p -177.03 141.63 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 127.939 2.496 . . . . 0.0 110.233 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -116.47 136.16 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 164.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -133.58 142.94 48.38 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.668 0.787 . . . . 0.0 110.83 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.47 144.07 26.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.124 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.23 113.87 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 125.486 1.514 . . . . 0.0 107.803 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -78.57 -19.78 52.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.692 -0.63 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.37 -1.62 55.64 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.319 1.287 . . . . 0.0 116.319 -173.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 6.7 ptp -72.36 138.53 47.32 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.901 1.85 . . . . 0.0 112.054 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -174.71 -176.94 1.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 128.97 2.908 . . . . 0.0 108.055 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 69.29 -163.73 0.18 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.771 2.428 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -127.45 -2.16 6.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.962 2.105 . . . . 0.0 112.547 163.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.85 -39.41 5.57 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.293 1.837 . . . . 0.0 112.039 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -67.45 -33.07 74.38 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.373 1.069 . . . . 0.0 113.649 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -57.55 -45.94 84.5 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 126.234 1.814 . . . . 0.0 112.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.85 60.19 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -53.7 -33.31 55.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.271 1.028 . . . . 0.0 110.849 168.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.2 -53.31 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.866 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -55.87 -50.8 69.64 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.606 1.094 . . . . 0.0 112.843 172.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -46.21 -48.94 17.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.809 1.243 . . . . 0.0 111.64 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.83 -45.63 14.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.973 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.22 -41.48 98.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.578 1.536 . . . . 0.0 111.832 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -70.36 -1.57 10.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.03 -6.71 22.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.205 1.402 . . . . 0.0 114.334 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -81.72 3.99 23.54 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 45.98 30.81 0.97 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.888 2.475 . . . . 0.0 115.374 176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.66 -12.66 0.16 Allowed Glycine 0 CA--C 1.541 1.665 0 C-N-CA 126.705 2.098 . . . . 0.0 117.192 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.69 143.48 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 127.12 2.168 . . . . 0.0 110.329 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -109.24 -31.39 7.59 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.654 1.182 . . . . 0.0 113.311 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -135.04 142.35 46.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.66 1.584 . . . . 0.0 111.176 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 p -160.75 119.15 2.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.814 1.246 . . . . 0.0 113.266 170.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -150.43 -174.53 4.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.169 2.188 . . . . 0.0 110.456 171.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 pt -146.17 163.24 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.509 1.924 . . . . 0.0 113.649 -164.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.3 t -134.15 121.86 22.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.818 1.247 . . . . 0.0 109.353 162.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.55 -32.32 60.38 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.556 1.143 . . . . 0.0 113.351 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.72 -38.02 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 119.846 1.203 . . . . 0.0 111.783 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.0 p -99.88 0.31 41.08 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.68 1.592 . . . . 0.0 113.0 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.423 0.2 OUTLIER 40.09 50.49 2.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.956 2.502 . . . . 0.0 115.831 -170.569 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.59 156.05 22.39 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.535 1.534 . . . . 0.0 112.978 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 60.4 m -112.59 135.78 52.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.4 1.48 . . . . 0.0 110.576 164.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -107.32 104.2 13.74 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.855 2.062 . . . . 0.0 105.996 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.02 147.74 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.571 1.548 . . . . 0.0 111.412 -169.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -151.06 135.83 17.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 109.201 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -154.45 -168.43 2.92 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.384 1.474 . . . . 0.0 110.662 -167.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.36 174.36 13.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.655 2.382 . . . . 0.0 112.496 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -56.9 -12.5 2.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.975 2.584 . . . . 0.0 117.975 -161.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.0 -7.27 33.92 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.049 1.339 . . . . 0.0 113.213 169.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 169.32 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.501 1.52 . . . . 0.0 110.612 166.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -142.26 149.5 39.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 111.641 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.31 51.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.929 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.88 -20.86 61.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.718 0.807 . . . . 0.0 113.022 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -81.68 -41.62 21.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.189 0.996 . . . . 0.0 110.512 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.47 -44.91 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 121.321 -0.862 . . . . 0.0 111.093 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -68.49 -5.55 20.05 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -97.26 -50.36 4.59 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 120.83 -1.169 . . . . 0.0 107.937 172.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 mm -54.2 -50.22 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.602 1.961 . . . . 0.0 113.617 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.31 -26.58 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 118.705 0.684 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -83.68 -24.65 31.21 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 172.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -77.46 -19.27 56.22 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.234 1.414 . . . . 0.0 113.278 170.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.49 -17.25 64.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 112.702 162.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.2 27.6 22.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.482 1.039 . . . . 0.0 113.996 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -107.62 -161.41 0.78 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.024 1.412 . . . . 0.0 110.363 168.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -162.27 141.7 9.51 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 127.477 2.311 . . . . 0.0 107.323 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.1 p -158.92 155.46 27.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -156.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.73 136.0 54.18 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.478 1.511 . . . . 0.0 108.305 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm -77.22 83.13 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . 0.268 0.3 OUTLIER -66.48 -36.6 83.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.05 -155.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -171.27 132.93 0.82 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.002 2.521 . . . . 0.0 110.511 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . 0.428 ' C ' ' HG ' ' B' ' 72' ' ' SER . 31.1 t70 -71.44 41.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 129.713 3.205 . . . . 0.0 114.64 -177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' SER . . . . . 0.428 ' HG ' ' C ' ' B' ' 71' ' ' ASP . 54.3 m . . . . . 0 N--CA 1.483 1.181 0 O-C-N 119.78 -1.825 . . . . 0.0 112.437 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 CA--C 1.549 0.934 0 CA-C-O 121.096 0.474 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.64 140.74 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.993 1.717 . . . . 0.0 111.531 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -109.13 159.54 16.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.157 1.383 . . . . 0.0 112.491 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -113.49 135.61 53.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.37 1.468 . . . . 0.0 111.31 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -131.33 153.46 49.58 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.506 1.523 . . . . 0.0 110.339 173.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -139.66 121.13 15.08 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.661 0.743 . . . . 0.0 110.582 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -111.95 139.66 47.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.208 1.403 . . . . 0.0 110.286 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -94.16 131.84 39.31 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.676 1.19 . . . . 0.0 108.161 160.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -142.7 142.33 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.903 1.229 . . . . 0.0 110.797 -167.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.75 128.15 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.748 0.819 . . . . 0.0 110.649 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.8 mtm -140.88 128.38 21.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.544 1.137 . . . . 0.0 110.8 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.83 -43.26 20.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 113.608 -175.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.12 179.25 9.2 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.778 1.631 . . . . 0.0 113.267 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -60.02 -11.22 5.34 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.306 1.842 . . . . 0.0 115.846 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -30.83 11.47 Favored Glycine 0 N--CA 1.471 1.01 0 C-N-CA 124.745 1.164 . . . . 0.0 112.355 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.78 -46.86 73.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.711 1.205 . . . . 0.0 111.535 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p -58.25 -29.34 65.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.316 1.046 . . . . 0.0 112.949 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.61 -40.34 32.4 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.358 0.98 . . . . 0.0 112.915 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.33 92.11 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.215 1.008 . . . . 0.0 111.646 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 -49.62 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.168 0.587 . . . . 0.0 110.157 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -54.16 -42.8 70.02 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.765 0.711 . . . . 0.0 112.644 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -58.34 -36.05 72.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.158 0.983 . . . . 0.0 112.788 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.72 -50.02 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.953 0.797 . . . . 0.0 111.181 171.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.41 -31.9 70.83 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.4 m -50.44 -32.92 19.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.805 1.242 . . . . 0.0 113.209 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.2 -28.3 67.86 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.81 -4.5 30.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.135 1.374 . . . . 0.0 114.03 -171.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.93 -30.46 4.79 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.63 -25.1 57.75 Favored 'Trans proline' 0 C--N 1.354 0.824 0 CA-C-N 122.31 1.861 . . . . 0.0 114.541 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.17 -12.81 5.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -91.88 114.33 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.251 1.42 . . . . 0.0 108.593 164.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -81.73 -29.26 33.0 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -160.43 135.62 7.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.784 1.234 . . . . 0.0 111.897 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -136.74 154.5 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.861 1.664 . . . . 0.0 111.631 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -152.86 112.51 3.9 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.433 1.093 . . . . 0.0 111.808 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -97.18 127.04 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.753 2.021 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -124.34 108.2 11.95 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.949 1.3 . . . . 0.0 113.34 -173.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.86 131.87 35.97 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.95 0.9 . . . . 0.0 111.583 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 107.39 -46.4 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 131.535 3.934 . . . . 0.0 110.657 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -85.46 -7.51 58.88 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.371 -0.83 . . . . 0.0 112.926 168.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 59.43 25.44 14.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 128.578 2.751 . . . . 0.0 116.112 170.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -101.64 153.68 19.55 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.969 -174.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.57 119.64 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 127.004 2.122 . . . . 0.0 108.47 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 138.72 31.27 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.579 1.152 . . . . 0.0 109.713 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -135.75 139.12 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.397 1.079 . . . . 0.0 110.693 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -126.5 126.49 43.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.872 1.669 . . . . 0.0 110.116 166.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -168.61 164.03 12.28 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.006 0.923 . . . . 0.0 112.999 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.8 p -88.91 -14.69 36.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.755 1.622 . . . . 0.0 113.041 163.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.12 155.38 87.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.447 1.099 . . . . 0.0 112.819 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.4 146.93 86.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.351 2.701 . . . . 0.0 113.52 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.01 -47.5 82.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.462 0.705 . . . . 0.0 111.94 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.48 -27.2 69.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.77 1.228 . . . . 0.0 113.032 174.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.47 -48.75 59.74 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.414 -0.804 . . . . 0.0 110.502 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.764 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -52.22 -47.86 65.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.025 0.93 . . . . 0.0 111.976 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.35 -36.35 82.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.145 1.378 . . . . 0.0 114.125 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -72.3 -37.87 68.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.992 1.269 . . . . 0.0 112.153 175.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.34 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.996 0.918 . . . . 0.0 110.207 172.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -44.47 -49.4 9.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.215 1.406 . . . . 0.0 111.983 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.98 -12.83 54.41 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -74.48 -10.62 59.74 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.114 1.324 . . . . 0.0 114.208 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.44 -10.89 60.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.711 1.148 . . . . 0.0 113.751 -172.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -84.97 131.85 34.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.751 1.275 . . . . 0.0 109.383 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.76 141.53 34.69 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 111.854 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.2 124.61 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -82.39 -38.9 23.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.956 1.303 . . . . 0.0 110.945 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -172.4 132.82 0.62 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.567 1.147 . . . . 0.0 113.016 169.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.81 143.47 16.01 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 124.298 0.951 . . . . 0.0 113.739 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -125.63 149.4 48.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.535 1.134 . . . . 0.0 112.468 167.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -94.16 135.99 34.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.587 1.955 . . . . 0.0 108.395 158.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.917 1.687 . . . . 0.0 112.284 -176.663 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.53 130.21 17.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.711 1.204 . . . . 0.0 111.037 166.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.6 127.64 32.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.93 2.092 . . . . 0.0 110.684 165.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.75 137.36 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.074 1.75 . . . . 0.0 108.414 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mm -116.85 127.17 74.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.5 141.97 47.71 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.061 0.545 . . . . 0.0 110.028 176.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.04 126.03 37.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.64 107.75 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.953 1.301 . . . . 0.0 108.071 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -73.19 -15.73 61.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 112.83 -172.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.6 12.09 27.89 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.955 1.741 . . . . 0.0 116.056 -173.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 10.3 ptp -93.04 144.59 25.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.885 1.843 . . . . 0.0 111.858 172.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -173.89 -25.56 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.761 1.624 . . . . 0.0 113.472 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.97 152.1 38.79 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.718 1.207 . . . . 0.0 111.902 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 75.0 m -82.26 -12.67 57.92 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 -26.65 6.95 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.853 1.261 . . . . 0.0 114.079 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.96 -14.52 61.73 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -66.7 -55.79 13.54 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.154 1.381 . . . . 0.0 111.954 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -71.28 -3.31 19.75 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.023 0.829 . . . . 0.0 113.205 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -56.43 -40.19 74.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.011 0.924 . . . . 0.0 110.137 160.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.85 -50.39 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.97 -45.06 83.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 85.2 m -57.01 -26.59 60.51 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.021 1.329 . . . . 0.0 113.274 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.98 -49.12 6.96 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.484 1.038 . . . . 0.0 112.004 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.34 -46.32 90.32 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.121 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -55.58 -25.5 38.58 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.85 -1.49 56.71 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.649 1.58 . . . . 0.0 113.956 -176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.93 121.03 20.33 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.55 1.068 . . . . 0.0 110.122 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.37 104.12 0.16 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.167 0.987 . . . . 0.0 111.574 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.46 -28.29 3.82 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.77 1.653 . . . . 0.0 113.624 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.73 121.81 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.872 1.336 . . . . 0.0 110.273 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.4 p -93.62 -41.52 9.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.534 1.133 . . . . 0.0 111.058 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.1 151.1 46.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.805 1.642 . . . . 0.0 111.821 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 45.3 t -156.83 134.27 10.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.882 1.273 . . . . 0.0 110.125 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.48 176.0 12.14 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.357 1.863 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -151.03 136.66 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 125.91 1.684 . . . . 0.0 110.108 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 m -127.58 118.52 24.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.476 1.111 . . . . 0.0 111.47 170.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.43 -28.58 68.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.658 1.583 . . . . 0.0 114.112 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.28 -41.49 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 119.663 1.12 . . . . 0.0 112.023 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 p -108.81 -1.64 19.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.88 1.672 . . . . 0.0 113.393 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 65.12 37.46 6.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.886 2.074 . . . . 0.0 112.314 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.13 136.75 48.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.576 1.15 . . . . 0.0 113.158 -168.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.95 123.6 37.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.395 1.078 . . . . 0.0 109.698 165.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -106.35 79.33 1.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.627 1.971 . . . . 0.0 108.689 -171.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -109.0 145.17 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.137 0.975 . . . . 0.0 111.369 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -144.03 134.29 24.43 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.289 1.435 . . . . 0.0 108.193 -168.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -167.99 148.83 5.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 122.899 1.333 . . . . 0.0 112.107 -160.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.49 162.05 13.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.323 -1.762 . . . . 0.0 112.196 150.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.284 0.5 OUTLIER 108.7 160.09 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 131.528 3.931 . . . . 0.0 112.614 177.251 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.6 -24.85 15.16 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.798 2.439 . . . . 0.0 117.009 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 140.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 120.163 1.347 . . . . 0.0 114.34 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -94.81 148.35 22.39 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.738 1.615 . . . . 0.0 112.826 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.31 68.29 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 171.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.34 -31.95 70.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.132 1.373 . . . . 0.0 113.105 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -86.18 -39.74 16.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.297 1.039 . . . . 0.0 112.64 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.87 -40.48 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 118.797 0.726 . . . . 0.0 110.204 174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -46.38 -40.15 11.55 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.668 1.187 . . . . 0.0 113.885 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -74.34 -28.07 60.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.34 1.456 . . . . 0.0 110.645 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.87 -43.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.0 1.32 . . . . 0.0 110.61 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.54 -33.32 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.192 0.597 . . . . 0.0 110.03 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.32 -35.52 73.7 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.411 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.78 -18.6 64.22 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -73.19 -15.9 61.44 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.935 0.894 . . . . 0.0 112.592 166.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.25 13.25 29.2 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.653 1.597 . . . . 0.0 115.106 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -103.58 -153.47 0.48 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.195 1.497 . . . . 0.0 110.401 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -161.76 141.12 9.92 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.995 1.318 . . . . 0.0 109.038 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.3 p -172.13 169.91 5.39 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -159.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -165.86 158.57 15.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 129.135 2.974 . . . . 0.0 107.465 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.3 tt -51.84 134.11 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.841 0.829 . . . . 0.0 112.223 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -57.38 2.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.715 1.206 . . . . 0.0 107.912 171.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -176.34 164.71 2.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.516 2.327 . . . . 0.0 108.791 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -98.63 98.75 9.87 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.158 0.983 . . . . 0.0 111.136 167.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.611 1.964 . . . . 0.0 113.67 179.712 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 86.11 14.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.039 2.536 . . . . 0.0 114.02 174.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.35 131.37 35.46 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.583 1.153 . . . . 0.0 111.018 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -77.62 128.81 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.159 0.983 . . . . 0.0 111.237 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -108.14 156.1 19.68 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.718 1.607 . . . . 0.0 111.059 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.2 127.21 54.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.077 0.951 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.51 147.07 50.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.997 1.319 . . . . 0.0 111.114 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -140.09 124.65 18.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.518 0.727 . . . . 0.0 111.181 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -113.84 133.61 55.31 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.118 1.367 . . . . 0.0 110.074 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -95.89 120.99 37.15 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.701 1.2 . . . . 0.0 108.652 165.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.95 139.53 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.523 . . . . 0.0 109.159 -168.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.67 115.4 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.9 mtm -138.92 116.08 11.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.53 0.732 . . . . 0.0 112.092 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.4 m -83.92 -62.43 1.57 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.053 1.341 . . . . 0.0 111.897 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.58 160.05 15.6 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.6 p -64.3 -24.07 67.52 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 157.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.62 -2.62 60.84 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.905 1.24 . . . . 0.0 114.704 167.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -90.04 -53.93 4.26 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.671 1.235 . . . . 0.0 110.455 168.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 p -60.45 -36.97 79.51 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.175 -0.953 . . . . 0.0 112.288 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.28 75.02 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 121.346 -0.846 . . . . 0.0 114.33 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.31 -48.09 14.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.555 1.177 . . . . 0.0 110.736 169.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.83 -48.41 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.894 0.878 . . . . 0.0 110.736 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -56.26 -43.92 79.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.999 0.92 . . . . 0.0 112.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -64.83 -38.22 90.26 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.845 -1.16 . . . . 0.0 113.166 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.16 -47.83 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.612 1.096 . . . . 0.0 111.481 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.85 -24.86 61.77 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -53.55 -35.03 60.31 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.87 1.268 . . . . 0.0 112.224 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.1 -16.13 29.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.855 1.262 . . . . 0.0 113.487 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.32 -3.0 17.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.5 1.52 . . . . 0.0 113.912 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.2 -27.53 2.14 Favored Pre-proline 0 N--CA 1.475 0.812 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.93 -24.05 46.04 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 121.931 1.725 . . . . 0.0 113.809 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -126.5 -16.07 5.44 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.115 1.366 . . . . 0.0 114.175 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.09 127.82 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.678 1.591 . . . . 0.0 109.626 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.38 -28.4 14.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.74 139.5 23.99 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.267 -0.896 . . . . 0.0 112.007 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.48 128.91 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.766 2.026 . . . . 0.0 107.913 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.98 123.49 9.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.026 0.931 . . . . 0.0 111.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -111.43 141.28 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.402 1.081 . . . . 0.0 110.145 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -125.79 94.15 4.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.911 1.284 . . . . 0.0 109.726 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.1 -44.3 96.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.526 0.73 . . . . 0.0 112.612 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.01 -50.21 74.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.33 -5.83 25.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.852 0.861 . . . . 0.0 112.881 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 56.12 24.73 8.24 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.198 2.599 . . . . 0.0 113.99 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.348 4.5 pp -121.12 159.59 25.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.38 124.68 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 127.47 2.308 . . . . 0.0 107.893 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -100.18 132.97 45.25 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.223 1.409 . . . . 0.0 110.493 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -130.13 139.58 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.708 1.203 . . . . 0.0 110.231 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -125.47 121.24 33.19 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.647 1.579 . . . . 0.0 109.689 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -164.95 162.06 20.38 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.8 p -92.31 -7.29 48.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.947 2.099 . . . . 0.0 113.86 164.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.78 153.48 95.06 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 119.509 1.05 . . . . 0.0 111.655 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 138.44 28.49 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.305 2.67 . . . . 0.0 112.001 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -56.22 -46.95 79.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.957 1.303 . . . . 0.0 114.349 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.31 -25.64 68.13 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.33 -32.45 72.58 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.263 -0.898 . . . . 0.0 111.889 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.67 -42.51 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.204 -0.935 . . . . 0.0 109.979 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.8 mt -55.22 -39.91 70.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.024 0.829 . . . . 0.0 112.115 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -76.91 -27.15 54.83 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -74.96 -35.06 62.12 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.421 -1.424 . . . . 0.0 111.123 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.66 -46.81 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.985 0.914 . . . . 0.0 110.397 167.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.49 -35.5 76.09 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.036 -1.04 . . . . 0.0 112.786 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -73.35 -25.8 60.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 m -64.26 -34.15 77.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.192 0.997 . . . . 0.0 109.692 167.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.28 -9.72 61.22 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 126.185 1.85 . . . . 0.0 114.717 162.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.82 149.11 45.57 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.68 1.24 . . . . 0.0 112.076 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -78.06 141.84 38.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.032 0.533 . . . . 0.0 111.79 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -110.03 121.75 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.971 1.309 . . . . 0.0 109.52 -170.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.55 -39.17 38.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.2 1.0 . . . . 0.0 112.17 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.7 p -162.33 161.26 27.44 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.665 1.121 . . . . 0.0 112.547 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.42 9.44 Favored Glycine 0 N--CA 1.466 0.648 0 C-N-CA 124.405 1.003 . . . . 0.0 111.23 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -151.14 158.76 44.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.95 152.63 19.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.653 1.581 . . . . 0.0 111.331 167.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.134 1.774 . . . . 0.0 112.319 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.747 -0.094 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -84.92 -151.24 0.13 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -172.92 148.09 1.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 126.806 2.042 . . . . 0.0 109.487 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -145.37 149.78 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.406 1.483 . . . . 0.0 109.456 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.91 135.09 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.067 0.947 . . . . 0.0 109.151 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.75 144.01 33.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 111.554 -164.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.19 111.84 20.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.518 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.98 74.55 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.58 1.152 . . . . 0.0 108.613 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -53.3 -21.1 5.02 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -166.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.34 -11.52 85.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.858 -1.151 . . . . 0.0 115.214 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 23.1 mtm -68.15 120.24 14.02 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.365 1.582 . . . . 0.0 111.271 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -141.45 -61.85 0.47 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.615 1.566 . . . . 0.0 109.468 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.65 -176.46 5.82 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.68 1.592 . . . . 0.0 112.848 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.5 m -87.97 -49.78 6.84 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.893 1.277 . . . . 0.0 113.607 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.78 65.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -164.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -28.86 61.22 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.949 1.3 . . . . 0.0 113.136 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.8 p -80.41 -36.33 33.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -158.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -21.83 66.08 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.145 -177.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -53.1 -25.46 13.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.082 1.353 . . . . 0.0 112.869 167.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.51 -66.65 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.469 0.707 . . . . 0.0 110.512 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -57.05 -44.0 82.53 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.261 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.0 m -52.36 -46.62 66.22 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.599 1.159 . . . . 0.0 111.879 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.94 -49.81 18.89 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.317 0.508 . . . . 0.0 111.696 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.3 -47.3 82.86 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.866 0.757 . . . . 0.0 111.807 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -70.41 -1.68 11.44 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.84 43.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.414 1.006 . . . . 0.0 113.206 166.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.11 130.9 35.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.884 1.274 . . . . 0.0 110.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.43 25.53 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.38 -9.12 0.58 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.402 2.43 . . . . 0.0 114.945 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.73 129.31 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 120.314 2.057 . . . . 0.0 111.118 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.6 m -101.96 -32.33 10.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.427 1.891 . . . . 0.0 112.465 -172.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -165.01 151.38 10.29 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.253 1.821 . . . . 0.0 111.264 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -144.38 101.03 3.63 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.015 1.326 . . . . 0.0 111.256 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -100.32 161.81 13.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.995 1.718 . . . . 0.0 111.672 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -150.17 152.13 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.437 1.895 . . . . 0.0 110.663 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.1 m -131.78 122.22 25.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.31 1.444 . . . . 0.0 110.604 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.7 -19.93 30.14 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -161.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.8 -34.87 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.5 p -94.88 -3.45 48.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.511 1.524 . . . . 0.0 113.736 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.353 10.5 p30 51.74 15.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.135 2.974 . . . . 0.0 116.733 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.38 133.05 45.68 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.489 1.116 . . . . 0.0 110.165 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.46 126.55 49.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.854 1.661 . . . . 0.0 108.622 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -126.54 100.45 6.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.597 1.559 . . . . 0.0 109.066 -164.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.58 141.7 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.518 1.927 . . . . 0.0 110.414 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -130.08 130.4 44.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 126.357 1.863 . . . . 0.0 106.636 -171.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -163.17 148.13 11.39 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.669 1.223 . . . . 0.0 111.469 -168.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.57 -69.63 0.25 Allowed 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 129.219 3.008 . . . . 0.0 114.285 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 48.0 t30 178.12 156.61 0.4 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.269 2.228 . . . . 0.0 108.952 -158.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . 0.283 30.1 mt-10 104.22 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 1 C-N-CA 132.898 4.479 . . . . 0.0 112.752 165.17 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.13 147.44 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.831 1.652 . . . . 0.0 112.714 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -104.66 157.2 17.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.332 1.453 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.98 69.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.188 0.595 . . . . 0.0 112.041 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.02 -43.83 94.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.729 0.812 . . . . 0.0 112.174 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -64.21 -42.42 96.62 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.501 -0.749 . . . . 0.0 111.406 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.44 -43.06 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.231 1.012 . . . . 0.0 110.971 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -59.01 -32.29 69.57 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.17 -0.956 . . . . 0.0 112.887 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.02 -35.25 37.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.732 1.151 . . . . 0.0 110.258 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.02 -50.69 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.799 1.24 . . . . 0.0 111.305 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -75.99 -28.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.588 0.755 . . . . 0.0 111.449 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.71 -32.81 68.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.582 166.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.12 -7.11 54.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.427 1.467 . . . . 0.0 114.649 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.98 -9.1 58.34 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.131 0.878 . . . . 0.0 112.288 161.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.79 24.46 17.66 Favored Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.422 1.487 . . . . 0.0 114.403 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -107.89 -164.63 0.98 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.956 1.303 . . . . 0.0 110.979 173.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.88 11.21 4.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.214 1.406 . . . . 0.0 114.647 -162.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 28.2 p -63.36 145.16 56.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -148.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -119.24 138.46 52.97 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 108.266 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.65 106.93 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.402 1.081 . . . . 0.0 108.738 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.02 -45.23 64.27 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.628 1.571 . . . . 0.0 109.468 -170.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 mtm-85 -152.59 151.93 31.23 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.319 2.247 . . . . 0.0 108.409 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -87.59 32.98 0.7 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.469 1.508 . . . . 0.0 112.352 165.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 125.851 1.66 . . . . 0.0 113.867 -174.804 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.43 -26.76 0.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -77.02 168.83 19.42 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 119.679 1.127 . . . . 0.0 113.07 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 78.7 mt 72.88 146.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 130.408 3.483 . . . . 0.0 115.026 165.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -130.66 163.08 27.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.384 1.474 . . . . 0.0 112.746 164.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -117.2 134.56 54.64 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.343 1.457 . . . . 0.0 111.515 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -131.35 154.22 48.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.209 1.803 . . . . 0.0 110.959 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -140.38 129.32 23.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.957 1.303 . . . . 0.0 108.915 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -128.96 139.72 51.98 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.57 1.148 . . . . 0.0 110.801 -173.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.11 114.67 28.74 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.084 1.754 . . . . 0.0 109.335 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t -149.91 133.43 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.08 0.952 . . . . 0.0 111.063 -159.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 t -78.29 131.86 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.348 1.459 . . . . 0.0 110.3 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.2 ptp -151.5 145.94 25.54 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.282 1.033 . . . . 0.0 110.24 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -61.35 -50.59 72.32 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -158.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 16' ' ' SER . 2.6 t -166.88 -172.59 2.13 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 125.432 1.493 . . . . 0.0 112.693 -170.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 p -48.35 -28.34 3.12 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.979 3.312 . . . . 0.0 115.826 174.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.91 -46.37 17.36 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.404 ' HG ' ' CB ' ' B' ' 16' ' ' CYS . 98.7 m -57.99 -43.94 86.88 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.529 -0.748 . . . . 0.0 112.432 171.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.1 p -68.02 -37.11 81.0 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.96 1.254 . . . . 0.0 112.712 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.36 73.59 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 119.245 0.929 . . . . 0.0 113.57 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.9 22.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.8 1.64 . . . . 0.0 112.031 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.1 t -57.9 -40.57 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.136 -0.978 . . . . 0.0 110.062 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -55.3 -41.84 72.89 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.327 169.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -64.26 -40.45 96.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.658 1.117 . . . . 0.0 113.154 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.48 -40.15 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 120.015 1.279 . . . . 0.0 110.931 172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.87 -3.6 59.09 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.825 1.25 . . . . 0.0 113.771 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.7 m -80.99 -51.08 8.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.418 1.487 . . . . 0.0 109.667 166.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.13 -15.24 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.592 -1.318 . . . . 0.0 114.416 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.41 1.53 54.22 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.697 1.599 . . . . 0.0 115.074 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -47.62 -32.92 3.2 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -58.58 -14.1 19.93 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 121.773 1.669 . . . . 0.0 114.827 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -132.91 -24.03 1.95 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.568 1.547 . . . . 0.0 114.063 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.77 133.16 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 120.356 -1.465 . . . . 0.0 110.565 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -44.97 11.56 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.147 1.379 . . . . 0.0 111.846 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.75 149.45 3.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.21 1.804 . . . . 0.0 110.445 -170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -133.97 168.98 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.964 1.706 . . . . 0.0 111.933 161.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -158.27 129.95 6.71 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.264 1.026 . . . . 0.0 111.664 162.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.4 mt -99.16 121.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.185 0.994 . . . . 0.0 110.274 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 m -102.36 77.34 1.64 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.475 1.91 . . . . 0.0 109.29 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.41 -37.78 88.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.989 1.716 . . . . 0.0 114.037 -165.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.83 -31.66 61.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.858 0.754 . . . . 0.0 111.739 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -81.26 -3.33 52.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.058 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 80.39 10.2 1.17 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.853 2.461 . . . . 0.0 113.642 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -125.26 158.3 34.45 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -166.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.84 134.6 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 127.076 2.15 . . . . 0.0 109.172 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -101.79 138.32 38.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.326 1.45 . . . . 0.0 110.822 171.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.45 142.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.752 1.221 . . . . 0.0 111.583 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.49 126.27 27.38 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.579 1.952 . . . . 0.0 109.445 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 t -170.63 155.74 5.01 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 p -76.02 -5.4 46.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 128.913 2.885 . . . . 0.0 114.275 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.85 158.7 67.43 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.216 1.406 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.84 167.24 10.64 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.345 3.363 . . . . 0.0 113.735 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -77.66 -45.55 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.432 0.693 . . . . 0.0 111.37 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.88 -43.14 65.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.7 1.2 . . . . 0.0 111.951 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.65 -35.04 76.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.384 0.673 . . . . 0.0 112.797 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.8 -41.81 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.429 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.91 -41.14 64.14 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.09 0.859 . . . . 0.0 111.665 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -71.96 -37.2 69.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.887 1.675 . . . . 0.0 113.814 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -66.69 -44.98 80.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.221 1.373 . . . . 0.0 111.554 171.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.47 -54.87 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.418 1.087 . . . . 0.0 110.226 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -47.83 -48.97 30.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.975 1.31 . . . . 0.0 112.829 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -61.46 -28.97 69.66 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.0 p -69.2 -15.99 63.51 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.84 7.55 80.98 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 124.541 1.067 . . . . 0.0 114.967 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -91.51 137.77 32.1 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.488 1.515 . . . . 0.0 109.663 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.54 126.37 35.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.385 -0.822 . . . . 0.0 111.379 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.5 t -82.89 133.1 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.085 1.354 . . . . 0.0 110.152 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -93.74 -51.47 4.9 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.071 1.348 . . . . 0.0 109.798 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -168.21 169.78 10.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.918 1.687 . . . . 0.0 111.249 167.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.71 156.85 26.91 Favored Glycine 0 N--CA 1.471 0.995 0 O-C-N 121.195 -0.941 . . . . 0.0 114.268 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -154.61 160.04 41.21 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -100.78 147.07 26.48 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.705 2.002 . . . . 0.0 111.17 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.255 1.376 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.174 -174.502 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.715 0.293 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -145.87 112.94 6.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 129.222 3.009 . . . . 0.0 108.281 -167.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -75.13 144.03 43.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.977 1.711 . . . . 0.0 112.583 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.3 156.16 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 126.784 2.034 . . . . 0.0 110.162 165.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 tt -131.87 142.82 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 123.418 0.687 . . . . 0.0 109.342 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.92 146.63 39.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.553 1.141 . . . . 0.0 110.528 -172.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.68 118.38 32.25 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.541 0.736 . . . . 0.0 109.916 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.88 74.38 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.557 1.143 . . . . 0.0 108.785 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -28.47 68.65 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.413 -0.805 . . . . 0.0 112.555 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.08 16.64 56.67 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.826 1.679 . . . . 0.0 114.653 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.4 ptm -62.82 166.06 6.0 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.113 1.457 . . . . 0.0 113.813 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -170.65 144.96 2.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.582 1.953 . . . . 0.0 110.176 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t 53.35 -150.97 0.35 Allowed 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 129.113 2.965 . . . . 0.0 113.942 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 80.9 p -118.05 -89.05 0.6 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.729 1.612 . . . . 0.0 111.804 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.74 61.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.443 1.497 . . . . 0.0 113.265 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.404 ' CB ' ' HG ' ' A' ' 18' ' ' CYS . 72.2 m -52.04 -41.3 62.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.638 1.575 . . . . 0.0 112.141 170.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.0 p -63.28 -31.89 73.16 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.548 1.139 . . . . 0.0 112.986 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.31 -8.27 38.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.642 1.11 . . . . 0.0 112.664 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -55.24 -28.2 51.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.737 1.153 . . . . 0.0 110.917 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.84 -51.38 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.734 0.697 . . . . 0.0 110.799 168.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.13 -38.6 91.14 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.98 -1.075 . . . . 0.0 111.746 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -52.23 -41.3 62.64 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.203 0.91 . . . . 0.0 113.338 169.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.98 -51.21 41.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.186 0.903 . . . . 0.0 111.54 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.07 -35.32 80.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.605 0.638 . . . . 0.0 112.287 -175.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -70.5 -2.62 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.343 1.457 . . . . 0.0 113.929 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.1 -9.48 21.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.94 1.296 . . . . 0.0 113.859 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.52 -168.5 2.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.502 1.521 . . . . 0.0 110.586 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -127.04 135.95 51.52 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.589 1.156 . . . . 0.0 110.261 167.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.36 -32.9 3.97 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-O 118.023 -1.432 . . . . 0.0 115.471 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.65 123.76 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.312 2.056 . . . . 0.0 110.419 -174.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -86.65 -38.93 16.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.485 1.514 . . . . 0.0 112.209 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -168.44 145.9 4.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.445 1.898 . . . . 0.0 111.171 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t -127.52 135.25 50.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 111.602 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -135.67 118.35 16.03 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.87 1.268 . . . . 0.0 112.711 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.87 125.52 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 127.657 2.383 . . . . 0.0 110.116 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -107.41 107.67 18.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.315 1.046 . . . . 0.0 111.282 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.43 -18.28 62.33 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.76 -24.27 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.259 0.936 . . . . 0.0 111.666 173.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -125.52 -2.45 7.39 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.322 12.1 p30 50.64 18.94 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.07 2.148 . . . . 0.0 115.886 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -78.42 132.85 37.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.728 1.211 . . . . 0.0 110.48 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.99 121.1 42.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.39 1.476 . . . . 0.0 108.782 171.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -114.47 101.37 9.07 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 125.559 1.543 . . . . 0.0 107.793 -168.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.69 142.07 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.714 1.606 . . . . 0.0 110.555 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.2 m -129.53 130.55 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 127.079 2.152 . . . . 0.0 106.157 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -156.62 135.12 11.5 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 122.818 1.294 . . . . 0.0 111.627 -166.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.6 149.44 47.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.134 0.968 . . . . 0.0 110.931 158.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -70.51 10.99 0.4 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -161.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.85 -15.51 59.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.858 1.263 . . . . 0.0 113.348 167.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -126.92 163.8 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.49 2.316 . . . . 0.0 109.311 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -125.62 151.36 46.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.005 1.722 . . . . 0.0 110.828 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.42 68.7 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.27 -28.38 67.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.654 0.782 . . . . 0.0 111.909 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -73.54 -37.36 65.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.802 -1.187 . . . . 0.0 111.115 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.11 -42.32 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.784 -1.197 . . . . 0.0 110.136 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.8 -5.33 8.58 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.529 1.532 . . . . 0.0 114.234 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -102.9 -52.3 3.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.593 1.557 . . . . 0.0 108.044 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.7 mm -46.74 -52.53 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.77 2.428 . . . . 0.0 113.454 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.14 -31.48 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.387 0.675 . . . . 0.0 111.071 -177.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -79.63 -28.07 40.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.67 -15.18 52.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.202 0.91 . . . . 0.0 113.375 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.15 -29.82 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.992 -1.067 . . . . 0.0 111.613 164.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.99 24.98 5.29 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.139 1.828 . . . . 0.0 115.014 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.93 -155.82 0.57 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.49 1.145 . . . . 0.0 110.243 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -156.74 139.97 15.58 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.261 1.824 . . . . 0.0 107.72 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -162.31 156.88 22.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.07 145.26 51.32 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.969 2.108 . . . . 0.0 107.289 164.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.93 116.17 5.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 167.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.04 -47.04 9.26 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.885 1.274 . . . . 0.0 108.821 -164.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -157.04 150.51 24.23 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.79 1.636 . . . . 0.0 109.424 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.82 23.03 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.467 1.507 . . . . 0.0 114.89 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 128.109 2.564 . . . . 0.0 112.939 -178.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.7 0.762 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.84 137.84 42.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 112.821 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.76 143.87 47.58 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.024 1.33 . . . . 0.0 111.592 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.3 mt -89.33 143.19 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -170.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.93 168.41 11.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.394 2.278 . . . . 0.0 111.053 171.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -132.61 133.61 43.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.391 1.476 . . . . 0.0 111.153 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -142.15 148.2 37.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.056 1.342 . . . . 0.0 111.876 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -141.58 147.03 37.02 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 111.362 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -143.43 144.45 32.03 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.436 1.494 . . . . 0.0 111.213 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -91.75 119.96 32.05 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.824 1.249 . . . . 0.0 108.831 160.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.42 138.47 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.038 1.335 . . . . 0.0 109.494 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -71.76 110.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.7 mtm -130.01 96.59 4.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.473 1.109 . . . . 0.0 109.462 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -89.31 -51.82 5.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.074 2.149 . . . . 0.0 112.391 -167.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.7 p -89.84 -161.56 0.79 Allowed 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 122.724 1.249 . . . . 0.0 113.84 -166.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 p -93.03 -10.53 35.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.21 2.204 . . . . 0.0 113.662 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.74 -15.61 6.76 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 125.133 1.349 . . . . 0.0 116.019 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 t -65.86 -41.66 91.35 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.662 1.731 . . . . 0.0 112.65 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.54 -21.94 41.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.7 1.6 . . . . 0.0 114.191 171.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.94 -43.42 5.39 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.983 1.277 . . . . 0.0 111.357 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.9 93.88 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.551 1.176 . . . . 0.0 111.966 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.62 -44.77 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 122.843 0.457 . . . . 0.0 111.068 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -59.09 -43.32 91.84 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.651 0.66 . . . . 0.0 111.479 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -61.34 -21.85 64.39 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.081 1.353 . . . . 0.0 114.09 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.46 -45.72 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.757 1.162 . . . . 0.0 111.598 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.08 -33.7 44.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.221 1.008 . . . . 0.0 113.233 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 p -65.25 -15.98 63.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.027 1.331 . . . . 0.0 114.349 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -75.78 -5.34 45.32 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.589 1.155 . . . . 0.0 113.124 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.3 mt -125.46 22.26 7.72 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.19 1.796 . . . . 0.0 112.818 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -56.3 -24.94 1.56 Allowed Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -60.91 -24.49 79.46 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 CA-C-N 121.852 1.697 . . . . 0.0 113.359 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -122.81 -23.46 5.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.997 1.319 . . . . 0.0 114.352 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.53 132.4 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.345 1.458 . . . . 0.0 109.83 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -99.12 -39.51 8.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.455 1.502 . . . . 0.0 113.27 -167.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -162.25 145.37 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.622 1.169 . . . . 0.0 111.998 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -134.53 143.26 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.442 1.497 . . . . 0.0 109.579 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.5 125.37 11.95 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.889 1.222 . . . . 0.0 112.262 162.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.9 117.63 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.156 0.982 . . . . 0.0 110.773 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -111.87 92.94 4.22 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.718 -1.239 . . . . 0.0 111.036 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.84 -43.32 94.66 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.984 1.314 . . . . 0.0 113.684 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.98 -28.11 64.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.246 1.018 . . . . 0.0 112.242 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -89.25 -4.3 58.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.442 1.097 . . . . 0.0 112.86 170.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 49.93 27.22 2.29 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.24 2.216 . . . . 0.0 114.623 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -100.15 150.41 22.53 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.696 1.198 . . . . 0.0 113.141 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -127.22 126.99 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 113.343 -1.753 . . . . 0.0 108.503 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -118.04 130.79 56.37 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 110.894 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -139.3 139.97 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.914 0.885 . . . . 0.0 111.778 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.57 138.28 54.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.264 1.826 . . . . 0.0 109.899 160.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 t -168.89 156.42 7.48 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.224 1.41 . . . . 0.0 111.378 -174.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.0 p -81.97 -8.06 59.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.433 1.493 . . . . 0.0 113.056 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.46 149.32 86.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.104 1.362 . . . . 0.0 112.532 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.41 150.38 32.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.823 3.015 . . . . 0.0 111.865 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.63 -38.26 89.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 0.0 112.838 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.19 -33.2 67.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.991 1.317 . . . . 0.0 112.857 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.7 -31.67 63.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.656 -0.652 . . . . 0.0 112.008 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.3 -41.48 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.004 0.921 . . . . 0.0 110.852 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.19 -34.92 75.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.432 0.693 . . . . 0.0 112.143 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -74.53 -32.51 62.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.81 1.244 . . . . 0.0 113.977 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -67.52 -35.68 79.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.598 1.09 . . . . 0.0 111.683 167.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.54 -39.89 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.131 0.972 . . . . 0.0 111.452 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.23 -42.63 99.27 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.915 0.78 . . . . 0.0 111.138 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.0 -40.2 87.29 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -76.66 -11.52 59.87 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -25.39 2.63 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.678 1.608 . . . . 0.0 115.669 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.47 132.06 51.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.53 1.165 . . . . 0.0 111.083 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.43 151.21 41.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.145 0.578 . . . . 0.0 112.358 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.83 149.59 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.483 1.113 . . . . 0.0 111.385 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -102.43 -31.74 10.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.398 1.079 . . . . 0.0 112.821 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 p -171.95 169.67 5.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 110.597 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.12 164.62 22.0 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 121.509 -0.744 . . . . 0.0 114.254 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -168.53 171.44 8.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.339 1.456 . . . . 0.0 114.062 -174.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.09 146.17 25.82 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.315 2.246 . . . . 0.0 111.237 172.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.941 1.697 . . . . 0.0 113.165 -173.544 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -178.93 150.35 0.48 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.803 2.841 . . . . 0.0 107.93 -170.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -140.39 148.12 40.78 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 127.673 2.389 . . . . 0.0 111.577 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 m -152.75 161.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 126.043 1.737 . . . . 0.0 111.229 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.9 135.74 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.225 1.01 . . . . 0.0 109.247 164.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -112.15 154.29 25.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.33 1.852 . . . . 0.0 109.675 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.63 138.74 31.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.99 0.516 . . . . 0.0 109.618 159.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.37 87.87 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.494 1.918 . . . . 0.0 108.06 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.47 -13.03 62.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 7.41 67.34 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.479 -167.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.2 ptp -85.83 154.95 21.2 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.429 1.614 . . . . 0.0 112.323 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.4 t 167.02 -37.87 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 129.758 3.223 . . . . 0.0 110.963 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.77 165.13 25.44 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.882 2.073 . . . . 0.0 113.961 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -92.76 3.66 55.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -162.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.21 -24.14 0.74 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -63.71 -22.39 66.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 120.676 1.58 . . . . 0.0 112.672 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -58.45 -47.93 82.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 125.953 1.701 . . . . 0.0 112.611 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -29.63 69.74 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.088 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -55.54 -33.95 64.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.433 1.093 . . . . 0.0 111.005 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -54.31 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.833 0.742 . . . . 0.0 109.188 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -63.64 -54.0 42.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.51 1.124 . . . . 0.0 112.622 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 m -48.22 -39.74 22.18 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.368 1.467 . . . . 0.0 112.596 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.13 -53.39 4.89 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.909 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.311 0.7 OUTLIER -74.8 -28.75 60.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.128 1.331 . . . . 0.0 112.998 -173.344 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -57.84 -25.29 60.47 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.72 1.146 . . . . 0.0 112.698 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -0.74 53.86 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.4 mt -79.95 133.02 36.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.593 1.088 . . . . 0.0 110.471 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -61.75 117.09 5.38 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.3 1.04 . . . . 0.0 110.869 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.21 -25.1 16.79 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.784 1.659 . . . . 0.0 113.953 -170.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.19 137.06 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 120.529 2.165 . . . . 0.0 111.596 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.0 m -106.53 -41.13 5.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.575 1.55 . . . . 0.0 111.528 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -165.08 161.16 19.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.93 1.292 . . . . 0.0 113.114 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.1 130.6 27.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.152 2.181 . . . . 0.0 110.916 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -131.14 167.0 19.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.89 1.676 . . . . 0.0 110.53 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.6 pt -148.7 167.95 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.548 1.539 . . . . 0.0 112.775 -170.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.2 m -138.59 109.94 6.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 111.519 165.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.55 -30.51 67.18 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.4 1.88 . . . . 0.0 116.045 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 83.5 t -81.54 -34.38 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.374 0.533 . . . . 0.0 111.264 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -102.02 -7.72 22.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.141 1.376 . . . . 0.0 113.795 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 65.12 25.13 12.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.468 1.907 . . . . 0.0 112.802 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -87.29 143.9 27.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.991 1.717 . . . . 0.0 111.563 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 92.3 m -132.21 121.33 23.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.509 . . . . 0.0 109.857 169.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -113.12 116.28 29.61 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.9 139.18 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.79 2.036 . . . . 0.0 110.701 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -123.31 122.36 38.14 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 127.382 2.273 . . . . 0.0 106.693 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -152.75 -144.08 0.14 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -165.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -174.57 153.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.918 3.287 . . . . 0.0 109.96 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -75.68 8.79 2.69 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -158.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.03 -19.03 64.9 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.736 1.214 . . . . 0.0 112.679 164.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.15 157.83 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 109.503 166.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 p -119.69 158.85 25.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.877 1.671 . . . . 0.0 111.983 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.96 58.85 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.95 -37.91 69.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.921 1.288 . . . . 0.0 112.657 171.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 75.4 m -66.52 -39.54 88.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.579 -0.7 . . . . 0.0 110.535 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.91 -41.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.167 -0.958 . . . . 0.0 110.17 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -67.44 -4.59 11.68 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -95.83 -54.49 3.32 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.296 -1.503 . . . . 0.0 108.067 169.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.81 -49.22 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.518 1.527 . . . . 0.0 112.634 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.99 -23.0 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.325 -0.859 . . . . 0.0 111.509 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.68 -27.82 58.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.766 -0.635 . . . . 0.0 112.643 166.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -79.12 -19.74 50.35 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.812 1.245 . . . . 0.0 113.383 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.2 m -72.14 -10.95 60.47 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.355 1.062 . . . . 0.0 113.0 165.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.49 19.57 27.28 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.419 1.009 . . . . 0.0 115.01 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.87 -170.61 1.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.94 1.37 . . . . 0.0 110.644 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -134.62 132.77 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 127.03 2.132 . . . . 0.0 107.119 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -164.81 163.41 21.25 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -158.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -172.54 156.14 3.57 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.728 2.411 . . . . 0.0 110.498 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 tp -49.05 126.95 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.339 1.056 . . . . 0.0 111.385 160.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -101.94 -48.82 4.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.74 1.216 . . . . 0.0 108.913 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -170.83 177.22 3.89 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.945 2.098 . . . . 0.0 110.723 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.33 70.06 5.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.533 1.933 . . . . 0.0 111.801 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.462 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.43 -35.95 15.72 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -173.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.94 140.45 36.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.41 129.8 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 125.011 1.325 . . . . 0.0 110.516 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.78 152.9 18.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.809 1.644 . . . . 0.0 110.989 164.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -113.36 134.14 54.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.949 1.3 . . . . 0.0 110.025 168.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -125.07 144.43 50.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.126 1.37 . . . . 0.0 110.303 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -134.41 117.5 16.38 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.736 0.814 . . . . 0.0 110.112 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.04 134.65 55.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.963 1.305 . . . . 0.0 111.106 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -99.08 122.29 42.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.433 1.893 . . . . 0.0 107.281 165.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.81 145.22 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.331 1.052 . . . . 0.0 110.41 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 116.47 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.619 0.768 . . . . 0.0 110.16 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.6 mtm -142.03 141.22 32.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.157 0.983 . . . . 0.0 112.984 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 m -139.72 -22.06 0.89 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.111 1.764 . . . . 0.0 113.427 -167.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.2 143.85 27.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.975 1.31 . . . . 0.0 111.445 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -63.49 -24.63 67.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.494 1.518 . . . . 0.0 114.369 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.44 -42.9 9.81 Favored Glycine 0 N--CA 1.47 0.933 0 CA-C-N 119.077 0.853 . . . . 0.0 111.722 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.6 t -66.11 -31.62 72.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.033 1.333 . . . . 0.0 112.932 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 p -82.97 -43.02 16.9 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.688 -1.257 . . . . 0.0 111.505 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -19.0 43.11 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 125.084 1.326 . . . . 0.0 113.708 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.64 -44.19 37.21 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.181 0.993 . . . . 0.0 112.678 161.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.03 -47.68 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.721 1.146 . . . . 0.0 110.701 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -54.97 -55.02 35.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.899 0.88 . . . . 0.0 110.789 170.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.92 -20.56 62.46 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.41 -54.67 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 O-C-N 120.416 -1.428 . . . . 0.0 110.375 163.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.29 -16.34 59.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.0 m -56.03 -27.22 52.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.487 1.115 . . . . 0.0 112.435 164.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -62.32 -10.16 10.29 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.281 -1.512 . . . . 0.0 114.001 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -115.98 22.01 13.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.437 1.895 . . . . 0.0 113.193 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -47.24 -35.37 5.96 Favored Pre-proline 0 N--CA 1.481 1.084 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.79 -13.18 38.9 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.748 1.632 . . . . 0.0 114.098 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -130.74 -30.95 1.79 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.183 1.793 . . . . 0.0 113.808 -171.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -109.52 119.01 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.899 2.08 . . . . 0.0 107.295 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 p -89.7 -33.93 16.43 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -155.29 141.98 18.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.444 1.098 . . . . 0.0 112.802 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 mp -123.35 136.87 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.901 1.68 . . . . 0.0 109.103 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -145.85 113.99 6.59 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.338 1.055 . . . . 0.0 112.08 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.3 mt -98.32 143.34 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.274 1.43 . . . . 0.0 111.438 -173.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -132.82 88.94 2.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.154 1.782 . . . . 0.0 109.742 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.73 -38.2 86.2 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.353 1.061 . . . . 0.0 113.854 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -63.71 -37.61 87.99 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.234 0.925 . . . . 0.0 110.568 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -92.75 10.72 29.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.853 1.261 . . . . 0.0 113.027 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 57.85 22.21 8.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.471 2.308 . . . . 0.0 115.338 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.13 151.94 22.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.332 1.453 . . . . 0.0 113.818 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -137.36 129.85 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.793 2.037 . . . . 0.0 109.01 170.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -102.78 135.58 44.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.396 1.478 . . . . 0.0 110.507 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.79 141.39 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.926 1.29 . . . . 0.0 110.685 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -131.13 129.47 41.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.036 1.734 . . . . 0.0 111.008 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -169.32 155.97 6.64 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.876 0.87 . . . . 0.0 113.214 -171.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -83.15 -7.54 59.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.452 1.501 . . . . 0.0 113.75 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.33 164.28 62.17 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.779 1.632 . . . . 0.0 114.104 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.17 149.39 89.46 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.048 3.165 . . . . 0.0 112.929 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -67.35 -47.16 71.24 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.85 0.86 . . . . 0.0 111.731 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -63.22 -23.14 67.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.642 1.177 . . . . 0.0 112.936 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -67.26 -41.88 84.81 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.762 -0.586 . . . . 0.0 110.959 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mm -69.06 -34.81 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.775 0.83 . . . . 0.0 111.989 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.76 -42.31 68.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.923 0.889 . . . . 0.0 112.422 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.42 -30.33 57.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.914 1.286 . . . . 0.0 113.809 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.57 -37.97 80.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.641 1.109 . . . . 0.0 110.969 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.56 -50.55 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.594 -0.691 . . . . 0.0 110.27 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -53.34 -40.28 64.75 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.056 0.844 . . . . 0.0 112.392 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -54.61 -30.26 54.17 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.5 p -77.83 19.09 0.42 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.792 1.237 . . . . 0.0 114.16 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.15 85.2 Favored Glycine 0 N--CA 1.469 0.838 0 C-N-CA 125.385 1.469 . . . . 0.0 115.061 163.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.6 150.97 48.58 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -165.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -86.21 139.85 30.68 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -88.85 126.35 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.529 1.532 . . . . 0.0 108.656 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -78.48 -42.03 30.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.432 1.493 . . . . 0.0 111.436 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 149.08 3.63 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.196 1.399 . . . . 0.0 112.758 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.13 141.06 12.33 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 125.289 1.423 . . . . 0.0 113.565 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -124.83 151.49 45.16 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 113.184 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.37 128.4 52.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.236 2.214 . . . . 0.0 108.764 166.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 123.975 0.91 . . . . 0.0 112.254 -169.425 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -168.09 148.21 4.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 127.997 2.519 . . . . 0.0 107.204 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.99 151.41 50.8 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.838 2.055 . . . . 0.0 111.704 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 p -162.29 135.42 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.345 1.058 . . . . 0.0 111.217 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -118.39 137.42 52.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.9 pp -139.13 141.51 38.06 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.972 0.909 . . . . 0.0 111.25 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.04 111.14 22.47 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.016 0.826 . . . . 0.0 110.202 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.77 113.06 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.014 0.926 . . . . 0.0 110.886 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -78.72 -3.76 45.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.826 1.251 . . . . 0.0 113.997 -172.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.14 3.48 28.43 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -164.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -107.24 151.96 24.75 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.826 1.313 . . . . 0.0 113.884 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 -49.08 1.75 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.202 1.001 . . . . 0.0 112.352 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 p -145.55 -168.79 3.06 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.203 1.401 . . . . 0.0 113.221 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -72.93 4.66 3.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.604 1.562 . . . . 0.0 114.29 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.23 -48.55 6.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.504 1.122 . . . . 0.0 109.89 163.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -55.95 -39.88 72.37 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.06 1.344 . . . . 0.0 112.329 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 p -66.75 -54.47 22.51 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 111.682 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -70.33 -17.32 63.06 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.128 1.331 . . . . 0.0 113.248 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -70.0 -19.17 63.34 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.619 -0.676 . . . . 0.0 111.276 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.7 -64.56 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.486 1.114 . . . . 0.0 110.303 169.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -56.0 -54.95 38.65 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.135 1.374 . . . . 0.0 111.918 -169.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.9 m -53.78 -34.75 60.04 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.663 1.12 . . . . 0.0 113.017 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -78.18 -43.87 27.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.826 0.739 . . . . 0.0 112.081 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.51 -43.42 49.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.737 0.815 . . . . 0.0 112.296 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -54.87 -28.51 50.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.361 1.065 . . . . 0.0 113.06 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 0.71 15.57 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.297 1.439 . . . . 0.0 114.866 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -76.66 123.94 26.9 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 119.645 1.111 . . . . 0.0 110.953 173.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -65.94 105.67 1.38 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.651 0.78 . . . . 0.0 110.104 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.89 -24.5 3.82 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.643 2.068 . . . . 0.0 113.728 -169.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.46 140.56 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 118.904 1.352 . . . . 0.0 110.67 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 34.9 p -120.36 -32.34 4.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.266 1.827 . . . . 0.0 113.535 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -143.69 153.98 43.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.934 1.694 . . . . 0.0 110.33 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 35.7 t -147.87 136.31 21.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.172 0.989 . . . . 0.0 111.258 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.37 159.61 44.18 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.259 1.824 . . . . 0.0 111.72 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -150.17 136.08 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.261 2.225 . . . . 0.0 109.639 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -119.55 137.33 53.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.091 0.956 . . . . 0.0 110.952 166.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.14 -29.59 16.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.391 1.077 . . . . 0.0 113.706 -155.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -76.63 -20.55 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 111.773 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -127.17 10.31 6.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.295 2.238 . . . . 0.0 112.637 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.5 8.76 5.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.793 1.637 . . . . 0.0 114.353 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -89.95 122.56 33.09 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.308 1.043 . . . . 0.0 112.498 -166.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -113.45 126.74 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.152 2.181 . . . . 0.0 110.002 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -114.35 103.02 10.65 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.239 1.815 . . . . 0.0 108.597 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.51 134.09 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.468 1.507 . . . . 0.0 110.424 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -134.03 121.72 21.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.991 1.316 . . . . 0.0 108.825 -168.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -147.4 -151.46 0.39 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.792 1.237 . . . . 0.0 111.21 -161.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.75 163.69 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 127.787 2.435 . . . . 0.0 110.706 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.4 -0.46 3.68 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -154.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -63.39 -27.44 69.31 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 111.739 161.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 78.1 t -107.14 152.76 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.207 1.803 . . . . 0.0 108.365 169.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.9 t -134.5 144.07 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.813 1.645 . . . . 0.0 110.649 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.47 49.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.196 1.398 . . . . 0.0 113.445 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.29 -38.49 68.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.194 0.998 . . . . 0.0 112.186 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -69.76 -39.92 76.42 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 90.5 mt -54.8 -47.35 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 121.616 -0.677 . . . . 0.0 110.104 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -70.06 4.56 2.05 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.07 -38.29 4.22 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.101 -1.624 . . . . 0.0 110.265 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -72.32 -39.65 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 111.736 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.93 -26.85 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.385 0.993 . . . . 0.0 111.363 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -80.9 -33.26 34.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.239 0.615 . . . . 0.0 111.113 173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -67.06 -23.97 65.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.131 1.373 . . . . 0.0 112.685 171.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.46 -14.99 56.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 113.185 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.76 22.72 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.967 1.27 . . . . 0.0 116.202 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -114.96 -167.09 1.18 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.171 1.388 . . . . 0.0 110.11 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -169.24 140.94 2.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.842 1.257 . . . . 0.0 110.065 -164.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 23.2 p -161.05 172.75 16.3 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.705 1.202 . . . . 0.0 112.191 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.45 -0.95 21.91 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mm 47.36 78.71 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 128.392 2.677 . . . . 0.0 110.095 -161.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . 0.284 0.5 OUTLIER -54.04 -44.78 71.31 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -166.044 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -170.26 140.3 1.87 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.195 1.798 . . . . 0.0 112.086 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.85 36.31 0.39 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.912 2.885 . . . . 0.0 114.136 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.256 1.424 0 C-N-CA 127.358 2.263 . . . . 0.0 116.932 -158.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tmm? . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.62 166.72 15.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.439 1.496 . . . . 0.0 112.137 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -66.18 137.1 56.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.62 0.768 . . . . 0.0 111.145 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.9 mt -72.64 136.11 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.448 0.699 . . . . 0.0 109.791 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -111.97 146.2 38.27 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.643 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -105.69 125.65 51.24 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.418 0.687 . . . . 0.0 111.61 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -128.02 157.62 40.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.532 1.533 . . . . 0.0 111.111 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -152.83 131.76 12.52 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.48 -0.763 . . . . 0.0 112.169 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.05 151.11 50.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.99 1.716 . . . . 0.0 110.67 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -111.06 127.78 55.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.208 1.403 . . . . 0.0 109.839 170.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.26 138.41 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.367 1.067 . . . . 0.0 109.569 -167.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.24 114.37 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 0.0 109.898 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.67 118.3 13.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.89 0.876 . . . . 0.0 112.261 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 p -70.12 -38.3 75.56 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.891 1.677 . . . . 0.0 114.539 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.2 p -169.04 177.16 5.01 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 122.097 0.951 . . . . 0.0 113.352 -150.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -68.31 -6.67 25.36 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.771 -1.206 . . . . 0.0 113.973 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.25 94.95 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.282 0.947 . . . . 0.0 111.154 167.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -59.44 -48.16 82.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.809 0.843 . . . . 0.0 111.2 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -57.5 -25.94 60.55 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.3 -63.72 1.92 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.35 89.41 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.97 -46.2 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.552 0.615 . . . . 0.0 110.773 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.81 -42.55 89.43 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.997 0.817 . . . . 0.0 110.677 171.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -71.07 3.74 3.21 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.643 1.577 . . . . 0.0 114.997 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.4 -51.77 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.721 -1.237 . . . . 0.0 110.798 156.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.12 -15.44 61.48 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -57.09 -23.72 48.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.181 1.793 . . . . 0.0 113.877 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.86 -11.87 61.0 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.841 1.257 . . . . 0.0 113.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -123.7 17.56 9.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.056 1.742 . . . . 0.0 113.441 -169.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.25 -27.65 3.0 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -58.98 -24.11 71.6 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 121.635 1.62 . . . . 0.0 113.752 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -115.95 -34.32 4.8 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.828 1.651 . . . . 0.0 113.644 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t -88.27 131.68 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.246 1.418 . . . . 0.0 110.025 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -99.85 -36.19 9.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.117 0.967 . . . . 0.0 113.277 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.21 143.91 19.44 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.053 0.941 . . . . 0.0 112.341 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.09 138.89 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.531 1.533 . . . . 0.0 108.266 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.39 123.24 29.43 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.09 0.859 . . . . 0.0 112.134 165.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -96.98 131.03 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.427 1.491 . . . . 0.0 108.494 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 m -114.19 85.23 2.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.163 1.385 . . . . 0.0 108.885 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.91 -51.66 66.84 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.973 1.309 . . . . 0.0 113.193 -167.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -67.18 -34.18 76.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.281 1.032 . . . . 0.0 111.197 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -81.88 -1.58 48.2 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.461 1.504 . . . . 0.0 112.903 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 56.85 18.7 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.474 2.71 . . . . 0.0 115.336 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.23 153.84 18.95 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.277 1.431 . . . . 0.0 113.204 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -133.92 126.22 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.331 1.853 . . . . 0.0 108.712 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.59 132.1 54.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.397 1.879 . . . . 0.0 109.323 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.02 141.66 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.402 1.081 . . . . 0.0 110.882 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -128.03 115.29 18.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.238 1.815 . . . . 0.0 110.333 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 163.4 31.84 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.819 0.848 . . . . 0.0 112.618 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -96.84 -15.43 21.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.871 2.068 . . . . 0.0 114.05 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.74 164.32 24.47 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -64.88 147.48 89.38 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.522 2.814 . . . . 0.0 116.223 -168.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -54.0 -40.21 66.75 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.122 1.769 . . . . 0.0 111.769 164.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.95 -25.04 57.04 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.667 1.587 . . . . 0.0 114.232 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -91.57 -40.0 11.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.699 0.681 . . . . 0.0 111.708 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -59.97 -42.68 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.498 -0.751 . . . . 0.0 111.66 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.52 -31.89 73.19 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.825 0.739 . . . . 0.0 112.287 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.9 -21.39 54.98 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.479 1.112 . . . . 0.0 113.918 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -67.23 -54.33 21.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.881 1.219 . . . . 0.0 109.968 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.54 -37.05 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 122.992 0.517 . . . . 0.0 111.648 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -57.52 -35.14 69.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.373 -1.454 . . . . 0.0 112.289 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -88.57 1.65 54.53 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.167 1.387 . . . . 0.0 114.368 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -84.97 -27.77 26.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 112.3 167.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -25.29 18.99 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.12 132.15 49.62 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.732 1.266 . . . . 0.0 109.818 168.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.67 132.12 48.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.699 0.681 . . . . 0.0 112.456 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.37 111.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -77.85 -33.8 52.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.198 0.599 . . . . 0.0 112.063 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -158.98 159.27 34.64 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.415 -0.803 . . . . 0.0 111.111 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.16 132.94 3.71 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 123.928 0.775 . . . . 0.0 112.5 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -146.83 153.86 40.66 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.667 1.223 . . . . 0.0 113.981 -173.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -105.35 139.36 40.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.086 1.754 . . . . 0.0 108.716 162.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.784 1.234 . . . . 0.0 111.553 -165.716 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.72 0.772 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -140.65 114.06 8.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 128.616 2.766 . . . . 0.0 108.878 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.65 144.23 51.16 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 124.17 0.988 . . . . 0.0 110.209 154.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.01 143.28 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.044 1.738 . . . . 0.0 109.51 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.85 127.38 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 126.042 1.737 . . . . 0.0 107.106 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -124.74 145.6 49.63 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.049 0.84 . . . . 0.0 110.254 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.97 44.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 119.057 -0.496 . . . . 0.0 110.148 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -139.01 102.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.888 1.675 . . . . 0.0 107.963 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -83.33 -3.96 57.99 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -158.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.29 11.78 16.76 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -171.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -41.03 -57.11 2.11 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -164.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m 71.52 -68.21 0.23 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.832 2.053 . . . . 0.0 112.547 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -94.99 -172.41 2.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 126.447 1.899 . . . . 0.0 115.57 -156.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.0 m -126.82 7.15 6.72 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.901 2.48 . . . . 0.0 112.978 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.01 -44.64 0.95 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.276 1.83 . . . . 0.0 111.171 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.79 -19.91 62.64 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -59.96 -44.97 94.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 124.998 1.319 . . . . 0.0 111.348 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -13.6 62.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.419 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -59.34 -28.3 66.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.089 1.313 . . . . 0.0 111.061 167.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.71 -45.2 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.344 0.974 . . . . 0.0 109.932 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.62 -45.15 91.59 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.383 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -50.68 -40.37 53.57 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.151 1.341 . . . . 0.0 113.368 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -79.84 -47.87 14.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.934 0.788 . . . . 0.0 112.522 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.99 -41.18 99.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.601 1.091 . . . . 0.0 112.308 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -65.41 -9.42 25.02 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.33 1.09 54.27 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.21 1.404 . . . . 0.0 113.606 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.8 mt -95.41 124.7 39.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.659 1.184 . . . . 0.0 111.536 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -63.44 112.79 2.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.156 0.982 . . . . 0.0 110.616 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.18 -31.55 4.02 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.118 1.818 . . . . 0.0 114.624 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.38 126.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.899 1.35 . . . . 0.0 110.347 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -101.83 -24.6 14.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.185 0.994 . . . . 0.0 113.068 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -160.81 144.2 13.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.48 1.512 . . . . 0.0 110.554 167.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -143.28 142.97 31.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.246 1.019 . . . . 0.0 111.635 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -162.08 -173.23 3.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.608 1.563 . . . . 0.0 110.447 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.33 167.71 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.953 2.101 . . . . 0.0 111.528 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 72.4 m -157.28 160.67 38.81 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.334 1.853 . . . . 0.0 110.09 172.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.89 32.86 5.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.067 1.347 . . . . 0.0 112.005 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.65 -45.91 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.61 1.164 . . . . 0.0 109.797 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.7 p -120.1 8.8 11.01 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.27 1.428 . . . . 0.0 112.13 162.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 66.47 75.15 0.33 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.687 2.395 . . . . 0.0 109.426 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.56 147.8 48.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.871 1.669 . . . . 0.0 112.901 -165.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 p -105.09 139.54 39.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 167.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -117.92 92.66 3.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.888 1.675 . . . . 0.0 108.191 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.33 142.58 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 112.286 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.8 m -138.04 139.35 39.54 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 126.258 1.823 . . . . 0.0 108.442 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -153.62 153.18 31.83 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 123.427 1.584 . . . . 0.0 110.935 -166.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -103.75 162.94 12.67 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.41 -1.723 . . . . 0.0 109.784 147.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.318 0.0 OUTLIER 99.64 155.11 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 130.481 3.512 . . . . 0.0 112.674 -177.576 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.75 34.33 0.06 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.203 2.201 . . . . 0.0 114.864 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.46 153.65 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.157 -1.589 . . . . 0.0 111.271 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -120.34 147.17 45.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.715 2.006 . . . . 0.0 111.623 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.73 54.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.774 1.23 . . . . 0.0 114.081 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.484 1.114 . . . . 0.0 113.245 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.8 m -71.5 -37.24 71.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.867 0.467 . . . . 0.0 110.858 167.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' B' ' 57' ' ' GLU . 46.8 mt -66.71 -39.63 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.377 0.671 . . . . 0.0 109.857 178.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -65.95 32.49 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.994 2.117 . . . . 0.0 114.338 166.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' B' ' 55' ' ' ILE . 31.4 tt0 -151.6 -42.83 0.11 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.337 2.655 . . . . 0.0 109.086 175.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mm -51.22 -52.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.186 0.994 . . . . 0.0 111.517 166.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.5 -23.14 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.269 1.028 . . . . 0.0 111.555 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.78 -32.44 59.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.8 -0.562 . . . . 0.0 112.178 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.43 -15.61 56.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.891 0.877 . . . . 0.0 112.778 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -70.46 -11.72 61.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.894 164.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.52 17.41 31.23 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-O 118.662 -1.076 . . . . 0.0 114.921 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -121.28 -163.52 1.05 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.887 1.343 . . . . 0.0 111.478 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.38 149.4 24.13 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.92 2.088 . . . . 0.0 109.071 -174.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.16 155.32 9.55 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -151.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -151.91 140.46 20.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.873 2.069 . . . . 0.0 108.879 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 12.2 tt -55.62 128.09 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.907 0.86 . . . . 0.0 111.871 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 tp -95.28 -54.16 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.785 1.234 . . . . 0.0 107.977 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -151.83 141.31 21.62 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.141 1.777 . . . . 0.0 111.621 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.86 32.52 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.432 3.093 . . . . 0.0 114.257 166.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.255 1.349 0 C-N-CA 129.311 3.045 . . . . 0.0 110.4 -157.802 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.21 -11.78 0.05 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.661 1.584 . . . . 0.0 114.7 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.53 160.45 31.66 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.715 1.206 . . . . 0.0 110.715 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.89 129.72 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.208 1.003 . . . . 0.0 112.095 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -114.23 160.06 19.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.944 2.098 . . . . 0.0 112.624 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -108.98 135.47 50.11 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.426 1.49 . . . . 0.0 113.258 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -130.41 152.95 49.25 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.682 1.593 . . . . 0.0 111.368 168.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -147.05 126.46 13.15 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.335 -0.853 . . . . 0.0 111.383 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.26 147.88 49.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.78 1.632 . . . . 0.0 111.397 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -99.81 123.36 43.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.687 1.195 . . . . 0.0 108.992 162.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -123.32 135.67 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.977 1.311 . . . . 0.0 109.621 -172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.14 116.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.15 0.98 . . . . 0.0 109.812 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.1 mtm -137.96 125.05 21.47 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.661 1.184 . . . . 0.0 110.756 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -75.3 -45.83 37.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.794 1.238 . . . . 0.0 112.053 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -147.61 179.2 7.86 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -169.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -57.54 -24.42 55.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.741 1.616 . . . . 0.0 114.175 172.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.19 -28.45 56.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.398 -0.814 . . . . 0.0 112.21 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.16 -50.91 35.65 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.375 1.088 . . . . 0.0 111.016 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 p -67.98 -18.68 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.35 9.46 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.081 0.848 . . . . 0.0 111.509 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.22 81.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.7 0.8 . . . . 0.0 112.254 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.93 -45.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.27 0.628 . . . . 0.0 110.934 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -60.38 -37.79 81.87 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.013 0.824 . . . . 0.0 112.859 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -62.07 -45.0 95.46 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.469 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 t -65.14 -49.82 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 119.232 0.924 . . . . 0.0 111.817 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.71 -39.63 89.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.044 0.838 . . . . 0.0 112.383 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.7 m -60.91 -30.91 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.61 0.764 . . . . 0.0 112.234 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -60.56 -17.52 46.62 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.635 -1.29 . . . . 0.0 113.606 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -97.97 7.34 46.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.506 1.523 . . . . 0.0 114.23 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.66 -24.46 0.97 Allowed Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -59.08 -18.2 42.34 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 CA-C-N 121.874 1.705 . . . . 0.0 114.226 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -133.25 -18.5 2.26 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.022 1.329 . . . . 0.0 114.57 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -87.23 138.33 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.146 1.778 . . . . 0.0 109.923 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 p -114.81 -14.53 11.95 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -149.33 139.37 22.08 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.312 0.96 . . . . 0.0 112.824 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.8 mt -129.98 142.74 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.42 1.888 . . . . 0.0 108.627 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.18 110.32 5.0 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.372 -0.83 . . . . 0.0 112.244 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.84 144.97 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.78 1.232 . . . . 0.0 110.146 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 p -142.35 137.41 30.48 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.736 -1.227 . . . . 0.0 112.407 168.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.29 -50.44 7.85 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.49 -0.756 . . . . 0.0 110.931 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.46 -45.51 84.69 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.848 0.749 . . . . 0.0 111.792 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -96.57 0.9 50.72 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 59.91 19.78 8.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.127 2.171 . . . . 0.0 115.676 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.3 mt -94.69 149.08 21.61 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.401 1.096 . . . . 0.0 113.415 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.1 111.59 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.36 2.264 . . . . 0.0 107.875 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -106.75 130.21 54.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.16 1.384 . . . . 0.0 110.606 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.12 139.37 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.985 0.914 . . . . 0.0 111.291 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -125.46 124.96 42.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.195 1.398 . . . . 0.0 110.554 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -163.89 162.95 23.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.025 0.93 . . . . 0.0 112.842 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -86.0 -13.9 46.17 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.013 1.725 . . . . 0.0 113.351 163.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.41 145.17 97.35 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 119.819 1.19 . . . . 0.0 112.289 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.04 144.55 99.46 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.292 2.661 . . . . 0.0 113.026 173.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.77 -42.1 75.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.043 0.937 . . . . 0.0 112.198 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.12 -26.02 68.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.263 1.825 . . . . 0.0 113.29 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -81.34 -44.34 17.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.498 1.119 . . . . 0.0 110.913 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.67 -42.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -33.04 74.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.922 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.49 -29.54 64.94 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.398 1.454 . . . . 0.0 112.714 171.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -70.48 -43.2 70.26 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.418 -1.426 . . . . 0.0 112.084 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.89 -49.82 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.304 1.042 . . . . 0.0 110.468 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.09 -37.45 85.09 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.33 -0.856 . . . . 0.0 112.395 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.86 -14.3 21.12 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.8 p -77.47 -16.52 58.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.775 1.17 . . . . 0.0 113.497 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.7 -16.05 43.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.386 1.469 . . . . 0.0 114.78 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -78.39 137.06 37.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.718 1.207 . . . . 0.0 111.196 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 161.48 30.9 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -113.98 136.98 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.955 1.702 . . . . 0.0 110.612 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.83 -37.3 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.417 1.087 . . . . 0.0 112.383 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.1 p -151.64 154.4 36.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.366 1.066 . . . . 0.0 111.528 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.16 127.12 2.32 Favored Glycine 0 N--CA 1.465 0.606 0 C-N-CA 124.357 0.98 . . . . 0.0 111.531 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -131.41 148.31 52.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.921 1.288 . . . . 0.0 112.139 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -117.16 131.56 56.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.426 2.69 . . . . 0.0 109.684 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.257 1.462 0 C-N-CA 124.86 1.264 . . . . 0.0 113.157 -169.392 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 179.85 147.81 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.419 3.087 . . . . 0.0 107.029 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.16 157.02 47.6 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 126.632 1.973 . . . . 0.0 110.352 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -159.03 142.17 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.476 1.11 . . . . 0.0 111.081 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mm -114.17 125.3 71.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.988 1.315 . . . . 0.0 107.843 170.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.18 144.29 40.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.665 0.666 . . . . 0.0 110.628 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.7 136.01 39.09 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 158.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.06 96.94 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -69.92 -22.55 63.19 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -152.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.8 -11.19 47.65 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-O 118.134 -1.37 . . . . 0.0 116.315 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm -85.16 140.39 30.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.033 1.917 . . . . 0.0 113.585 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -157.06 -17.47 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.17 1.388 . . . . 0.0 114.288 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.04 152.43 18.8 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.937 1.695 . . . . 0.0 114.215 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 18.2 m -73.94 -2.88 25.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.646 1.578 . . . . 0.0 113.859 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.01 -46.83 4.54 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.713 1.142 . . . . 0.0 112.153 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.4 m -56.87 -32.1 65.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.586 1.554 . . . . 0.0 113.385 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -77.16 -35.28 56.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.489 1.516 . . . . 0.0 113.303 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -25.54 67.25 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.48 1.036 . . . . 0.0 112.027 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -47.53 -42.66 23.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.491 1.516 . . . . 0.0 111.51 172.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 122.867 0.467 . . . . 0.0 110.431 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.37 -48.99 73.39 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.67 -0.644 . . . . 0.0 111.874 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 57.8 m -55.07 -36.72 65.91 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.283 1.433 . . . . 0.0 113.359 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -45.18 18.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.354 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.93 -41.39 36.51 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.68 1.127 . . . . 0.0 113.656 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.2 -24.01 66.96 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.805 1.184 . . . . 0.0 112.879 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.1 45.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 113.914 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.08 164.84 12.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.68 1.592 . . . . 0.0 112.596 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -67.9 162.23 24.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.56 1.144 . . . . 0.0 112.66 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -46.61 1.84 Allowed Glycine 0 N--CA 1.478 1.444 0 O-C-N 120.184 -1.572 . . . . 0.0 114.876 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.53 130.29 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 127.187 2.195 . . . . 0.0 111.16 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.6 p -126.69 -29.78 2.85 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.59 119.64 5.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.859 0.864 . . . . 0.0 111.029 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 73.1 m -109.38 128.05 54.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.811 1.244 . . . . 0.0 110.925 169.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -142.55 172.82 12.18 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.688 1.595 . . . . 0.0 109.894 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.29 158.93 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.637 1.975 . . . . 0.0 111.627 -171.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.0 m -124.59 130.76 53.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.438 0.695 . . . . 0.0 110.688 157.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.4 -38.26 26.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.658 1.183 . . . . 0.0 114.131 -163.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -74.81 -35.66 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-N 119.242 0.928 . . . . 0.0 111.665 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.1 p -90.06 -11.39 41.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.231 1.413 . . . . 0.0 113.573 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 69.47 37.39 2.0 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.133 1.773 . . . . 0.0 111.912 173.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.81 140.81 48.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.327 1.051 . . . . 0.0 112.729 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.01 133.46 48.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.208 1.403 . . . . 0.0 110.151 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -121.91 102.78 8.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.532 1.533 . . . . 0.0 107.652 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.8 142.21 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 0.0 112.315 -170.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -122.82 133.11 54.46 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 127.257 2.223 . . . . 0.0 108.085 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -153.47 -144.6 0.15 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 111.961 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.86 159.01 9.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.461 2.704 . . . . 0.0 111.113 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.12 18.9 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.96 2.104 . . . . 0.0 115.129 -168.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.12 -18.19 53.69 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.088 0.955 . . . . 0.0 111.696 156.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.47 151.72 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.256 1.822 . . . . 0.0 109.398 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -114.56 143.4 45.05 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.132 0.973 . . . . 0.0 113.194 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.0 -25.11 57.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.236 1.014 . . . . 0.0 113.505 169.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -70.03 -17.58 63.27 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.765 1.226 . . . . 0.0 113.49 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -92.52 -32.58 14.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.714 0.806 . . . . 0.0 111.584 166.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -58.67 -39.51 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.883 -1.136 . . . . 0.0 110.404 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -69.61 13.99 0.12 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 126.425 1.89 . . . . 0.0 114.601 172.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -123.02 -46.54 2.08 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.514 1.926 . . . . 0.0 109.56 164.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.46 -46.16 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.65 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mt -68.5 -27.59 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.55 0.74 . . . . 0.0 111.925 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.3 -30.06 25.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.912 172.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -70.09 -16.99 63.2 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 112.951 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.9 m -67.3 -29.46 69.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.746 1.218 . . . . 0.0 112.755 163.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.39 23.85 4.32 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.898 1.713 . . . . 0.0 115.754 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -115.81 -154.93 0.56 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.508 1.654 . . . . 0.0 110.724 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.51 146.68 15.24 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.137 1.775 . . . . 0.0 109.26 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -157.46 169.58 24.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -155.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.53 144.57 12.33 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.807 2.043 . . . . 0.0 109.225 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.09 107.3 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.413 0.625 . . . . 0.0 110.002 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tp -83.76 -47.13 11.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.656 1.583 . . . . 0.0 109.029 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . 0.457 ' C ' ' H ' ' B' ' 72' ' ' SER . 43.0 mtp85 -141.32 143.19 33.91 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.926 1.691 . . . . 0.0 108.441 166.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -69.94 22.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 159.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.457 ' H ' ' C ' ' B' ' 70' ' ' ARG . 56.4 m . . . . . 0 C--O 1.256 1.431 0 C-N-CA 128.593 2.757 . . . . 0.0 111.797 -168.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.32 135.83 17.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.269 1.028 . . . . 0.0 111.275 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -159.49 141.23 13.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.775 0.83 . . . . 0.0 111.675 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.89 143.92 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.281 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 147.49 40.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.861 2.064 . . . . 0.0 110.558 170.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.88 130.73 39.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.633 1.173 . . . . 0.0 110.896 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -127.79 154.32 45.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.94 1.296 . . . . 0.0 111.546 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -138.82 134.82 33.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 110.64 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -135.83 153.35 51.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.962 1.705 . . . . 0.0 112.248 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -109.89 119.58 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.373 1.469 . . . . 0.0 111.012 169.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.87 144.32 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.574 1.149 . . . . 0.0 110.905 -166.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -88.9 90.22 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.567 1.147 . . . . 0.0 109.229 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -87.3 -40.24 14.66 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.658 1.183 . . . . 0.0 113.185 -168.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m 71.41 -27.38 0.18 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 128.351 2.66 . . . . 0.0 114.264 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -133.95 159.59 40.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.786 2.834 . . . . 0.0 110.676 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -77.89 -19.93 53.86 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.934 -1.104 . . . . 0.0 113.249 174.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.34 -19.86 77.82 Favored Glycine 0 N--CA 1.473 1.133 0 CA-C-N 119.023 0.829 . . . . 0.0 113.16 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 t -47.47 -37.96 12.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.582 1.953 . . . . 0.0 113.239 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -58.54 -28.47 65.51 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.31 -34.24 26.58 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.042 0.837 . . . . 0.0 112.909 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.96 21.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.806 1.243 . . . . 0.0 112.783 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.97 -46.7 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.66 0.784 . . . . 0.0 109.916 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -53.32 -54.08 41.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.274 0.63 . . . . 0.0 111.411 171.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -57.54 -31.82 66.47 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.13 -41.47 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.496 1.498 . . . . 0.0 111.6 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.73 -32.87 23.25 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -59.76 -20.89 59.44 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.362 1.437 . . . . 0.0 114.053 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -52.64 -21.69 4.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.308 1.043 . . . . 0.0 113.247 171.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.45 37.14 3.66 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.748 2.019 . . . . 0.0 112.871 -167.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -50.54 -33.82 9.67 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -70.78 -10.27 27.42 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.335 2.023 . . . . 0.0 114.062 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -119.66 -32.01 4.4 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.637 1.575 . . . . 0.0 112.769 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.72 129.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 126.667 1.987 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.7 p -100.17 -33.72 10.33 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -157.13 143.03 17.74 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -173.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.91 137.0 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.824 1.65 . . . . 0.0 108.593 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -136.26 131.54 34.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.733 1.213 . . . . 0.0 111.529 172.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.47 130.44 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.775 1.23 . . . . 0.0 109.827 -171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.4 m -120.46 116.7 25.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.081 0.952 . . . . 0.0 111.522 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.84 155.87 27.64 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.955 0.902 . . . . 0.0 111.951 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 78.08 -46.9 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.37 3.068 . . . . 0.0 111.04 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -73.14 -16.19 61.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.715 1.206 . . . . 0.0 112.538 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 49.65 35.94 9.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.171 2.588 . . . . 0.0 115.193 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 mt -96.04 152.49 18.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.029 1.331 . . . . 0.0 112.297 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.3 t -131.52 129.77 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.816 1.647 . . . . 0.0 108.953 169.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.69 133.23 53.37 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.532 1.933 . . . . 0.0 109.096 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.11 147.1 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.584 1.154 . . . . 0.0 111.633 -170.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.15 125.47 33.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.807 1.643 . . . . 0.0 111.985 166.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -168.49 157.18 8.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.246 1.418 . . . . 0.0 112.278 -173.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.2 p -77.87 -17.13 57.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.96 1.304 . . . . 0.0 113.275 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.98 154.76 93.25 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.448 1.099 . . . . 0.0 112.757 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -64.76 157.83 54.0 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.974 3.116 . . . . 0.0 114.016 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -55.1 -51.68 65.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.754 1.221 . . . . 0.0 112.89 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.49 -31.27 71.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.097 0.959 . . . . 0.0 112.73 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.91 -36.66 83.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 110.915 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.4 -36.29 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.026 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.18 -46.43 72.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.244 1.384 . . . . 0.0 110.764 169.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.85 -51.93 67.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 118.016 -0.993 . . . . 0.0 112.709 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.2 -22.96 61.95 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.189 1.359 . . . . 0.0 114.155 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.04 -57.53 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.577 1.08 . . . . 0.0 109.201 161.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.91 -29.17 70.37 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 113.721 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -57.07 -25.15 58.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.2 p -60.08 -20.07 56.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.064 1.346 . . . . 0.0 113.866 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.76 72.42 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.931 1.729 . . . . 0.0 113.322 -168.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -77.11 145.39 37.84 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.64 1.22 . . . . 0.0 111.305 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 165.18 19.77 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.79 1.236 . . . . 0.0 110.63 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.22 130.14 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.811 1.244 . . . . 0.0 111.127 -173.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -95.17 -41.83 8.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -160.81 165.2 30.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.776 0.83 . . . . 0.0 111.558 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.1 163.23 12.81 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 115.325 0.89 . . . . 0.0 115.325 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -159.71 164.07 34.23 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.563 1.145 . . . . 0.0 113.839 -171.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -71.05 147.97 48.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.413 1.085 . . . . 0.0 109.879 157.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--O 1.251 1.153 0 C-N-CA 124.791 1.237 . . . . 0.0 112.422 179.084 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.146 0.498 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -80.94 80.98 7.32 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.44 2.296 . . . . 0.0 112.368 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.17 128.89 37.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.604 1.162 . . . . 0.0 109.413 163.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 83.0 t -142.98 142.8 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.168 1.787 . . . . 0.0 108.963 -174.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.19 121.69 60.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.78 150.26 22.03 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.421 0.688 . . . . 0.0 109.371 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.62 138.73 33.22 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 157.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.8 118.6 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.678 1.991 . . . . 0.0 105.649 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -85.74 -57.2 3.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -159.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.42 52.37 4.65 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.693 1.14 . . . . 0.0 114.479 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptm -111.02 12.89 22.04 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -172.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -89.08 2.16 54.51 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -166.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 p -83.34 -113.73 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.546 1.138 . . . . 0.0 112.261 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.6 p -146.69 -95.24 0.09 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.14 70.35 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.943 1.297 . . . . 0.0 113.71 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.7 m -53.01 -28.17 22.82 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.681 1.592 . . . . 0.0 113.166 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -69.56 -41.5 75.81 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 121.224 -0.923 . . . . 0.0 112.196 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 117.455 -1.259 . . . . 0.0 110.178 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.9 m -57.58 -30.6 65.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.059 1.3 . . . . 0.0 111.761 173.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.07 -54.31 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.527 1.058 . . . . 0.0 110.071 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -53.63 -50.92 64.66 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.876 0.762 . . . . 0.0 111.869 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -44.58 -48.92 10.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 113.051 171.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -84.15 -29.03 27.01 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.06 -44.33 9.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.63 1.104 . . . . 0.0 113.631 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.14 -19.94 65.64 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.442 1.474 . . . . 0.0 112.842 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.21 -10.66 60.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.744 1.618 . . . . 0.0 114.901 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -78.72 121.55 24.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.391 1.077 . . . . 0.0 111.191 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -58.46 111.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 110.946 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.86 -27.25 6.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.687 2.089 . . . . 0.0 113.945 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.35 139.25 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.402 1.601 . . . . 0.0 109.417 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -110.63 -37.26 5.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 118.186 -0.911 . . . . 0.0 113.085 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -147.23 157.28 43.54 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.79 1.236 . . . . 0.0 112.97 -167.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.8 m -158.05 127.51 5.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.21 1.804 . . . . 0.0 112.94 -170.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.23 174.81 13.8 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.181 1.793 . . . . 0.0 111.114 168.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.38 166.88 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.499 -1.375 . . . . 0.0 113.737 -167.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -138.89 103.01 4.7 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.035 1.334 . . . . 0.0 112.072 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.05 -26.74 66.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.0 -36.16 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.117 . . . . 0.0 111.398 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -100.73 -3.95 29.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.574 -176.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.451 0.0 OUTLIER 69.76 28.23 4.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.804 2.842 . . . . 0.0 114.756 177.899 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -106.39 154.77 20.32 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.561 1.544 . . . . 0.0 113.812 -171.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 89.2 m -129.47 128.16 42.34 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.432 1.493 . . . . 0.0 111.042 166.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -97.18 93.74 6.72 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.833 2.053 . . . . 0.0 107.935 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -106.02 150.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 125.639 1.576 . . . . 0.0 111.554 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -141.97 125.04 16.26 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.951 0.901 . . . . 0.0 109.577 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -150.23 -157.98 0.87 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.334 1.054 . . . . 0.0 111.778 -172.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -151.16 169.43 21.9 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 129.59 3.156 . . . . 0.0 111.074 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.52 -23.5 10.64 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.377 2.271 . . . . 0.0 116.51 -162.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.5 -12.6 61.68 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.602 1.561 . . . . 0.0 115.153 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -122.79 154.77 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.264 2.226 . . . . 0.0 108.956 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -152.04 146.42 25.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 111.484 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.94 58.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.896 1.278 . . . . 0.0 113.184 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.59 -32.83 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.151 0.98 . . . . 0.0 112.972 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -87.73 -34.62 18.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.011 0.524 . . . . 0.0 111.695 173.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.55 -38.85 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.084 -1.01 . . . . 0.0 110.145 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -56.13 -14.88 3.0 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.869 . . . . 0.0 115.109 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.62 -40.23 7.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.575 1.55 . . . . 0.0 109.755 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.51 -51.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.279 1.432 . . . . 0.0 111.682 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 7.0 tt -78.08 -27.14 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.646 0.779 . . . . 0.0 112.005 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -68.39 -36.32 78.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.482 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -2.87 54.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.1 -13.65 59.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.796 0.839 . . . . 0.0 112.936 159.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.78 12.28 30.57 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.446 1.498 . . . . 0.0 115.782 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -100.16 -162.38 0.94 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.089 1.445 . . . . 0.0 110.657 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -162.05 142.14 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.257 2.623 . . . . 0.0 105.23 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -168.03 176.66 6.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -146.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.71 157.88 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.389 1.876 . . . . 0.0 110.442 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 tt -78.86 113.65 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 166.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -60.64 2.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -158.55 138.55 12.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.981 1.312 . . . . 0.0 111.517 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -69.02 78.26 0.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.092 1.357 . . . . 0.0 109.415 147.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.566 1.946 . . . . 0.0 113.474 -179.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ttt . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.63 143.09 2.65 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.291 1.436 . . . . 0.0 110.229 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.03 149.92 25.95 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 110.969 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.81 131.04 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 122.125 0.965 . . . . 0.0 109.439 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -115.74 153.71 30.89 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.184 2.193 . . . . 0.0 110.346 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -124.82 140.73 52.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.458 1.103 . . . . 0.0 111.503 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -145.74 144.76 30.54 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 125.152 1.381 . . . . 0.0 110.718 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -131.49 127.64 37.72 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.676 1.19 . . . . 0.0 110.048 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -121.7 144.77 48.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.703 2.001 . . . . 0.0 110.127 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.84 126.21 51.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.411 1.085 . . . . 0.0 109.491 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 t -148.42 137.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.336 1.454 . . . . 0.0 109.165 -163.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.76 127.08 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.9 mtm -138.7 124.42 19.72 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.602 0.761 . . . . 0.0 111.373 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -97.47 -158.28 0.65 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.723 1.609 . . . . 0.0 109.977 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -84.04 -141.65 0.07 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.938 1.295 . . . . 0.0 114.089 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 m -57.8 -38.49 75.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.331 1.852 . . . . 0.0 115.671 -156.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 -38.76 25.76 Favored Glycine 0 N--CA 1.473 1.138 0 CA-C-N 120.083 1.31 . . . . 0.0 111.991 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.92 -49.28 76.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.672 0.789 . . . . 0.0 110.623 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -57.73 -40.59 79.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.559 1.144 . . . . 0.0 113.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.72 -27.66 64.59 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.217 0.913 . . . . 0.0 113.565 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.58 -52.58 10.27 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.478 1.139 . . . . 0.0 111.773 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.95 -35.11 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.003 1.321 . . . . 0.0 110.858 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.67 -62.55 1.45 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.958 0.503 . . . . 0.0 111.906 168.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -56.75 -40.9 76.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 t -69.79 -28.17 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.32 0.964 . . . . 0.0 111.314 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.15 -27.18 14.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -58.62 -28.29 65.51 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.394 1.907 . . . . 0.0 113.911 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.67 -20.57 34.66 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.862 1.265 . . . . 0.0 113.316 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -93.93 -3.14 52.18 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.163 1.385 . . . . 0.0 114.432 -175.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -54.22 -28.38 3.7 Favored Pre-proline 0 N--CA 1.473 0.697 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.37 -24.58 69.06 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 122.189 1.818 . . . . 0.0 113.551 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -114.89 -25.4 8.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.129 1.372 . . . . 0.0 113.313 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.55 115.04 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.994 1.717 . . . . 0.0 109.812 176.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -40.32 43.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.261 0.624 . . . . 0.0 112.297 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -152.11 119.81 6.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.7 mt -90.51 132.58 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.82 1.248 . . . . 0.0 108.712 157.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -128.33 114.0 16.32 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.363 1.065 . . . . 0.0 110.52 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.7 mt -98.57 124.96 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.268 1.427 . . . . 0.0 109.86 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -115.85 83.5 1.95 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.059 1.344 . . . . 0.0 110.47 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -55.19 -48.2 74.16 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.183 1.793 . . . . 0.0 112.722 -173.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -62.32 -48.57 79.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.421 1.089 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -66.8 -18.25 65.28 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.793 0.837 . . . . 0.0 113.199 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 72.25 21.19 3.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.606 2.362 . . . . 0.0 111.808 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.92 149.45 27.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 122.363 1.078 . . . . 0.0 113.029 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.39 129.64 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 113.386 -1.734 . . . . 0.0 108.204 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.9 127.28 45.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.977 1.311 . . . . 0.0 110.343 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.17 136.44 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.554 0.742 . . . . 0.0 111.33 -170.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -113.4 124.35 52.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.381 1.873 . . . . 0.0 111.282 167.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -168.12 165.28 13.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.462 1.105 . . . . 0.0 112.386 -173.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -79.48 -19.87 48.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.932 1.693 . . . . 0.0 112.794 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.46 156.21 90.51 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.472 1.909 . . . . 0.0 112.482 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.35 158.62 14.88 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.553 2.836 . . . . 0.0 112.963 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -48.19 -49.88 31.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.559 1.943 . . . . 0.0 113.515 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.11 -35.23 80.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 112.611 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.36 -41.9 75.94 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.741 -0.599 . . . . 0.0 111.877 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.87 -45.78 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.906 0.882 . . . . 0.0 111.138 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.35 -32.93 74.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.474 -0.774 . . . . 0.0 112.401 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.46 -43.56 98.52 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.203 0.91 . . . . 0.0 112.535 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -67.89 -30.55 69.94 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.732 1.151 . . . . 0.0 113.049 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.11 -55.04 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.693 0.678 . . . . 0.0 110.168 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -57.08 -35.21 69.11 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.197 1.399 . . . . 0.0 112.703 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -54.08 -21.43 8.47 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.206 1.802 . . . . 0.0 114.753 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -65.04 -29.19 70.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.152 1.381 . . . . 0.0 114.538 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.74 1.41 56.34 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -93.29 161.08 14.54 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.996 1.398 . . . . 0.0 112.028 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.16 139.42 35.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.615 1.566 . . . . 0.0 112.121 -168.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -112.34 128.81 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.675 1.59 . . . . 0.0 108.63 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -105.09 -38.92 6.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -158.39 173.19 17.03 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.497 1.044 . . . . 0.0 112.404 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.12 162.93 20.01 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.832 1.093 . . . . 0.0 115.832 164.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -173.52 -173.34 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.597 1.959 . . . . 0.0 112.864 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 166.09 16.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.584 1.954 . . . . 0.0 113.083 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.063 1.745 . . . . 0.0 111.693 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -154.43 136.68 14.85 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.494 2.318 . . . . 0.0 107.812 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -96.18 161.79 13.81 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 127.071 2.148 . . . . 0.0 113.604 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.91 138.14 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.405 1.882 . . . . 0.0 109.221 168.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.7 mm -122.0 125.39 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.67 140.42 48.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.6 0.76 . . . . 0.0 110.901 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.55 118.25 30.44 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.58 105.65 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.84 1.256 . . . . 0.0 108.678 -169.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -70.5 -15.38 62.79 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -161.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.09 2.68 61.63 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.499 1.523 . . . . 0.0 115.343 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtm -71.82 150.85 43.93 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.745 1.773 . . . . 0.0 113.058 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -139.48 -54.82 0.57 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.338 1.455 . . . . 0.0 113.607 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -155.77 -100.98 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -154.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.9 p -158.41 141.6 14.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 128.472 2.709 . . . . 0.0 110.273 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 72.37 -52.22 0.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.95 2.5 . . . . 0.0 112.08 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -50.31 -22.09 1.66 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.669 2.387 . . . . 0.0 113.804 167.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -100.65 -41.73 6.81 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 128.048 2.539 . . . . 0.0 112.912 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -1.65 21.72 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.054 1.297 . . . . 0.0 113.126 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -48.17 -46.46 34.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.024 1.33 . . . . 0.0 110.9 153.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.12 -48.35 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.851 0.861 . . . . 0.0 110.187 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -55.15 -51.03 67.79 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.091 0.859 . . . . 0.0 111.663 170.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 51.9 m -52.7 -39.06 61.62 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.399 1.08 . . . . 0.0 112.79 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -85.84 -50.14 7.36 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.3 -44.0 72.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.503 1.047 . . . . 0.0 112.374 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -26.76 68.05 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.678 1.126 . . . . 0.0 112.187 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.96 -10.95 59.96 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -72.72 127.31 32.18 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.356 0.98 . . . . 0.0 110.393 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.65 108.33 0.38 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.2 -17.9 21.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.539 1.542 . . . . 0.0 115.06 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.76 134.48 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.631 1.716 . . . . 0.0 109.255 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -121.48 -31.23 4.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -147.33 143.74 28.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.229 1.411 . . . . 0.0 111.456 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 60.0 m -142.95 119.93 11.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.696 1.199 . . . . 0.0 111.768 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.44 168.43 12.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.692 1.997 . . . . 0.0 111.155 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.6 139.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.346 1.859 . . . . 0.0 113.203 -167.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 m -142.53 166.67 24.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.506 1.522 . . . . 0.0 112.232 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.32 29.84 7.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 112.81 -170.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -93.71 -54.96 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 120.982 -1.074 . . . . 0.0 109.568 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.03 -7.64 39.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.004 1.721 . . . . 0.0 110.996 161.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 70.34 50.72 0.4 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.532 2.333 . . . . 0.0 109.332 -163.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.44 139.63 30.53 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.685 1.594 . . . . 0.0 113.355 -170.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -106.34 134.43 49.48 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.469 1.508 . . . . 0.0 109.913 166.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -115.72 95.56 5.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.766 1.626 . . . . 0.0 108.001 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.61 142.2 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.214 1.405 . . . . 0.0 111.113 -171.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 68.2 m -126.83 131.74 51.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.692 1.997 . . . . 0.0 108.444 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.15 -164.27 1.98 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.332 1.063 . . . . 0.0 110.955 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -171.25 167.89 6.84 Favored 'General case' 0 CA--C 1.546 0.791 1 C-N-CA 132.968 4.507 . . . . 0.0 108.784 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 84.53 158.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.906 2.882 . . . . 0.0 113.213 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -44.16 -26.71 0.33 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.356 3.062 . . . . 0.0 117.491 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 p -48.16 145.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 127.253 2.221 . . . . 0.0 112.947 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -112.46 146.86 37.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.06 1.744 . . . . 0.0 112.591 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.78 58.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.114 0.965 . . . . 0.0 112.574 170.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.61 -20.88 66.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.127 1.371 . . . . 0.0 112.899 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -83.93 -38.08 21.5 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.959 -1.088 . . . . 0.0 111.475 168.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.48 -39.01 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.274 -0.891 . . . . 0.0 109.997 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.33 -4.01 0.12 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 128.956 2.902 . . . . 0.0 115.644 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -126.08 -39.18 2.1 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.613 1.965 . . . . 0.0 110.154 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.75 -39.42 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.117 -0.99 . . . . 0.0 111.234 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 tp -61.52 -25.86 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.137 -0.977 . . . . 0.0 112.238 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.61 -26.8 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -73.74 -21.57 60.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.782 0.719 . . . . 0.0 112.911 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 58.9 m -74.67 -13.93 60.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.651 0.78 . . . . 0.0 112.685 164.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.55 25.59 15.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.573 1.082 . . . . 0.0 115.149 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -123.56 -155.04 0.64 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.201 1.401 . . . . 0.0 109.872 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -168.53 158.95 9.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.98 2.112 . . . . 0.0 110.78 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -150.36 -173.27 4.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.754 1.222 . . . . 0.0 112.409 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -133.54 25.66 4.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.752 0.821 . . . . 0.0 110.107 162.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . 0.488 ' CG2' ' H ' ' B' ' 69' ' ' LEU 0.34 41.8 mm 49.98 -155.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -147.069 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.488 ' H ' ' CG2' ' B' ' 68' ' ' ILE 0.274 0.1 OUTLIER -154.83 -43.25 0.09 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.123 1.369 . . . . 0.0 111.146 163.634 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -167.41 146.03 4.89 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 122.726 1.25 . . . . 0.0 111.537 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.08 28.46 0.51 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.519 2.327 . . . . 0.0 113.128 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.489 1.477 0 C-N-CA 130.26 3.424 . . . . 0.0 111.651 -173.147 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.31 -12.75 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.213 1.805 . . . . 0.0 113.9 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -81.63 112.82 19.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.304 0.956 . . . . 0.0 109.822 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.9 mt 57.02 123.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 128.871 2.869 . . . . 0.0 112.838 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -96.43 149.94 21.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.698 -1.251 . . . . 0.0 110.884 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.71 138.16 44.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.844 1.258 . . . . 0.0 109.261 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -138.17 153.57 49.19 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 125.081 1.353 . . . . 0.0 110.706 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -143.79 133.87 24.23 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.972 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -126.65 142.02 51.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.121 1.368 . . . . 0.0 111.048 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.06 121.18 31.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.509 1.524 . . . . 0.0 108.718 167.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 135.82 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.204 1.002 . . . . 0.0 109.708 -165.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.14 119.77 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.271 0.628 . . . . 0.0 110.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -145.34 107.1 4.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.86 0.864 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.4 m -63.1 -56.81 13.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.641 0.776 . . . . 0.0 111.05 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.75 175.2 9.02 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.543 1.537 . . . . 0.0 113.591 -162.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.89 -5.79 40.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.364 -0.835 . . . . 0.0 112.449 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 -28.64 43.47 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.889 1.709 . . . . 0.0 112.771 166.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.39 -55.42 15.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.464 1.632 . . . . 0.0 110.362 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.22 -34.71 75.55 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -41.26 94.9 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.209 -0.773 . . . . 0.0 112.959 175.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.38 70.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.576 1.15 . . . . 0.0 111.777 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.9 -49.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.17 -43.81 87.64 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.744 -0.597 . . . . 0.0 112.326 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.01 -30.14 70.63 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.728 1.149 . . . . 0.0 113.725 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.62 -43.35 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.277 -0.889 . . . . 0.0 111.388 167.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.08 -21.96 29.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 p -59.39 -24.64 63.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.954 1.706 . . . . 0.0 112.774 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.61 -15.08 24.53 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.499 1.12 . . . . 0.0 113.483 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.9 mt -109.98 5.64 22.46 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.968 1.707 . . . . 0.0 114.555 -173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.09 -28.85 2.45 Favored Pre-proline 0 N--CA 1.477 0.889 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -62.06 -16.9 53.17 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 CA-C-N 121.849 1.696 . . . . 0.0 114.975 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.42 -31.62 2.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.165 1.386 . . . . 0.0 113.098 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.84 125.45 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.69 1.596 . . . . 0.0 109.25 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -91.82 -39.41 11.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -154.48 120.43 5.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.653 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.2 mt -108.3 136.93 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.013 1.325 . . . . 0.0 108.861 171.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -144.51 122.55 12.1 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.647 -0.658 . . . . 0.0 111.822 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -98.96 142.25 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.551 0.691 . . . . 0.0 111.066 -174.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -121.06 85.98 2.5 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.256 1.823 . . . . 0.0 108.495 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.64 -34.88 76.49 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.166 0.987 . . . . 0.0 113.656 -168.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.82 -49.5 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.038 0.835 . . . . 0.0 110.795 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.27 7.54 9.29 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.363 1.065 . . . . 0.0 113.785 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 56.06 37.04 28.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.735 1.614 . . . . 0.0 114.739 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.275 3.8 pp -130.93 158.53 39.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.88 129.87 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.79 1.636 . . . . 0.0 109.653 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.29 131.95 51.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.054 1.742 . . . . 0.0 111.184 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.2 141.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.956 1.303 . . . . 0.0 110.611 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.59 129.74 53.04 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.689 1.596 . . . . 0.0 109.693 163.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -169.34 161.14 9.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.091 0.956 . . . . 0.0 113.202 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.6 p -72.75 -27.26 61.92 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.406 2.282 . . . . 0.0 112.987 164.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.14 150.58 97.38 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.448 1.499 . . . . 0.0 113.062 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.71 153.71 30.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.31 2.673 . . . . 0.0 112.74 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -50.94 -46.48 60.98 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.95 1.7 . . . . 0.0 113.048 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.37 -44.83 92.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.44 1.496 . . . . 0.0 112.499 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.43 -31.42 69.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.865 0.466 . . . . 0.0 111.972 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.92 -43.31 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.568 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.14 -49.1 64.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.323 0.965 . . . . 0.0 110.825 171.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.8 -53.05 62.09 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.552 1.141 . . . . 0.0 112.913 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.67 -30.98 71.79 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.267 1.394 . . . . 0.0 113.344 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.51 -56.23 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.429 1.013 . . . . 0.0 109.7 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -60.94 -32.37 71.89 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -53.16 -24.16 9.98 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 172.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.6 p -63.87 -23.01 67.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.15 87.15 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.906 1.241 . . . . 0.0 113.928 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -87.36 143.83 27.06 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.269 1.035 . . . . 0.0 109.86 162.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -84.8 142.87 29.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.831 0.853 . . . . 0.0 112.018 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.14 126.62 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.679 1.192 . . . . 0.0 109.571 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 mtp-105 -93.26 -42.91 9.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.503 1.121 . . . . 0.0 112.633 -171.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 p -165.41 167.9 17.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.82 1.248 . . . . 0.0 111.824 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.79 159.94 23.96 Favored Glycine 0 C--N 1.343 0.917 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -135.27 160.21 39.12 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 113.71 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -93.21 127.46 38.79 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.375 1.47 . . . . 0.0 109.476 163.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.249 1.078 0 C-N-CA 125.194 1.398 . . . . 0.0 112.304 -168.359 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -173.31 159.99 3.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.301 2.24 . . . . 0.0 106.889 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -134.61 153.33 52.02 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 127.099 2.16 . . . . 0.0 110.566 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -169.74 130.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 110.917 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -107.76 124.08 63.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 163.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -116.91 142.25 47.19 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.588 0.755 . . . . 0.0 110.335 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 142.98 40.07 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.44 98.48 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -76.58 -6.39 51.73 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -155.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.71 4.03 29.16 Favored Glycine 0 N--CA 1.469 0.838 0 CA-C-O 118.197 -1.335 . . . . 0.0 115.632 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.94 136.95 36.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.197 1.998 . . . . 0.0 112.573 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.5 m -140.54 -39.25 0.43 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 111.674 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -114.07 164.13 14.24 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -163.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.4 m -78.77 2.29 20.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.295 1.438 . . . . 0.0 114.131 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.04 -59.62 1.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.165 0.893 . . . . 0.0 110.791 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.97 -18.28 62.63 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -170.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -67.91 -51.99 41.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.771 1.229 . . . . 0.0 111.616 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -19.68 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.846 1.203 . . . . 0.0 112.089 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -56.78 -35.22 68.44 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.235 0.925 . . . . 0.0 110.785 166.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.15 -53.61 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.399 1.0 . . . . 0.0 109.571 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -55.6 -46.81 77.26 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.173 0.897 . . . . 0.0 112.987 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -59.63 -41.77 91.22 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.557 1.072 . . . . 0.0 112.913 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.55 -31.13 62.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.973 1.26 . . . . 0.0 112.964 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.73 -45.02 69.11 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.738 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -49.42 -26.42 3.27 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.86 55.05 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.77 7.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 -167.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt 43.46 25.45 0.08 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.369 2.667 . . . . 0.0 116.61 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.19 -21.66 0.17 Allowed Glycine 0 N--CA 1.472 1.059 0 C-N-CA 125.165 1.364 . . . . 0.0 116.138 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -77.64 136.03 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.784 1.792 . . . . 0.0 109.254 172.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -110.46 -30.26 7.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.212 1.405 . . . . 0.0 112.398 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -157.34 147.37 20.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.283 1.833 . . . . 0.0 109.84 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.86 148.94 28.42 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.7 172.24 13.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.084 1.754 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -143.25 144.4 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 127.326 2.25 . . . . 0.0 109.113 -172.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 42.6 m -129.48 115.7 17.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.02 0.528 . . . . 0.0 110.573 162.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.14 -32.94 67.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.265 1.426 . . . . 0.0 114.432 -173.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.99 -37.0 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.087 0.858 . . . . 0.0 111.037 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.2 p -87.14 -19.86 27.88 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.565 1.546 . . . . 0.0 112.715 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.73 37.22 0.31 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.851 2.46 . . . . 0.0 112.23 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -118.6 152.22 36.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.708 1.603 . . . . 0.0 113.605 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 80.4 m -113.52 133.71 55.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.492 1.517 . . . . 0.0 110.026 166.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -114.45 94.24 4.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.142 1.777 . . . . 0.0 108.348 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.0 132.67 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.752 1.621 . . . . 0.0 111.547 -165.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 83.4 m -128.61 115.79 18.62 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.81 1.644 . . . . 0.0 108.136 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -135.06 -157.01 0.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.084 1.354 . . . . 0.0 112.309 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.58 163.39 19.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.294 2.238 . . . . 0.0 112.193 -160.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -6.42 2.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.413 2.285 . . . . 0.0 116.269 -165.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.31 -4.72 54.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.464 1.105 . . . . 0.0 113.091 168.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -149.05 163.29 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.496 1.498 . . . . 0.0 112.129 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.6 p -127.98 152.87 47.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.768 1.627 . . . . 0.0 112.238 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.29 69.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.73 0.812 . . . . 0.0 112.767 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.58 -35.09 78.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.72 0.808 . . . . 0.0 111.46 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 63.0 m -69.75 -39.52 76.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.835 0.854 . . . . 0.0 111.786 171.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.81 -44.78 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.554 -0.716 . . . . 0.0 109.792 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.87 11.81 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.257 2.223 . . . . 0.0 115.147 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -134.75 -42.53 0.75 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.275 1.83 . . . . 0.0 109.188 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 mm -53.32 -46.72 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.844 1.258 . . . . 0.0 112.251 165.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.81 -25.7 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.037 0.935 . . . . 0.0 112.194 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -74.25 -36.55 63.87 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -78.19 -0.8 29.85 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 170.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 95.8 m -85.0 -12.66 52.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.873 0.869 . . . . 0.0 113.219 166.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.95 22.46 9.33 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.42 -160.24 0.82 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.076 1.35 . . . . 0.0 111.18 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -154.67 154.64 33.26 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 129.154 2.982 . . . . 0.0 107.911 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.45 170.13 23.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -156.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -155.4 144.02 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.183 1.393 . . . . 0.0 109.312 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 tt -77.41 103.58 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.3 -53.53 5.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.341 1.857 . . . . 0.0 110.078 -158.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -151.74 136.25 16.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.483 1.913 . . . . 0.0 108.138 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.06 15.0 0.6 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.485 1.317 0 C-N-CA 127.671 2.389 . . . . 0.0 114.051 -171.359 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 133.39 54.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 113.354 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.25 137.58 32.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.668 1.587 . . . . 0.0 110.257 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -69.8 129.24 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.675 0.75 . . . . 0.0 110.542 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -106.54 153.46 22.29 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.271 2.228 . . . . 0.0 111.184 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.96 134.79 48.51 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 111.548 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -128.32 146.87 50.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.968 1.307 . . . . 0.0 110.859 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -136.41 131.1 33.7 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.821 0.849 . . . . 0.0 111.183 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -127.84 142.01 51.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.405 1.482 . . . . 0.0 110.94 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -105.67 122.69 46.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.675 1.59 . . . . 0.0 108.196 168.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.71 144.08 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.388 0.994 . . . . 0.0 111.044 -159.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.46 120.76 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.0 0.92 . . . . 0.0 109.988 171.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.84 97.45 2.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.418 1.087 . . . . 0.0 111.359 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -64.7 -41.67 95.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.189 1.796 . . . . 0.0 113.809 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -157.91 178.03 10.68 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.205 1.402 . . . . 0.0 113.621 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -66.41 -12.31 56.38 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.103 0.961 . . . . 0.0 113.519 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.26 -30.64 10.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.772 1.653 . . . . 0.0 112.797 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -64.36 -52.07 60.16 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.288 1.035 . . . . 0.0 110.751 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -60.09 -39.65 86.87 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.727 -0.608 . . . . 0.0 112.045 171.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.03 95.75 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.033 0.833 . . . . 0.0 113.521 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -46.08 69.37 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.069 0.934 . . . . 0.0 112.025 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -58.84 -44.65 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.678 -0.639 . . . . 0.0 110.498 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.51 -37.19 75.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.582 1.153 . . . . 0.0 112.586 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.99 -30.01 71.27 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.005 -1.06 . . . . 0.0 112.964 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 t -71.29 -56.72 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.194 0.906 . . . . 0.0 110.98 169.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.93 -29.56 69.46 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -62.91 -18.62 63.28 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.606 1.162 . . . . 0.0 113.874 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.15 -10.52 54.78 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.868 -1.145 . . . . 0.0 113.415 172.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.96 6.62 31.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.339 1.456 . . . . 0.0 113.68 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -54.44 -21.93 0.65 Allowed Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -62.74 -21.17 72.77 Favored 'Trans proline' 0 C--N 1.353 0.796 0 CA-C-N 122.768 2.024 . . . . 0.0 113.582 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -122.68 -29.71 3.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.411 1.484 . . . . 0.0 113.055 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.96 120.31 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.791 1.637 . . . . 0.0 109.626 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -83.04 -41.93 18.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -151.15 131.22 13.45 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.76 138.4 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.345 2.258 . . . . 0.0 110.003 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -142.83 110.47 5.82 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.099 0.959 . . . . 0.0 112.098 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.74 129.01 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.386 1.474 . . . . 0.0 110.509 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -120.44 100.01 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.221 1.408 . . . . 0.0 112.308 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.57 148.87 38.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.96 1.304 . . . . 0.0 110.791 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 75.27 -41.86 0.46 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.954 2.502 . . . . 0.0 110.876 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.76 -30.02 68.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.863 1.665 . . . . 0.0 112.763 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 79.89 8.96 1.5 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.363 2.665 . . . . 0.0 113.572 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.72 154.65 18.14 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.116 -0.99 . . . . 0.0 113.427 -169.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.39 132.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.395 1.878 . . . . 0.0 108.884 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.76 129.13 54.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.799 1.64 . . . . 0.0 110.421 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -130.51 143.63 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.633 1.173 . . . . 0.0 111.266 -173.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.02 129.64 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.448 1.499 . . . . 0.0 111.578 166.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 t -170.12 163.76 9.18 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.508 1.123 . . . . 0.0 112.827 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.9 p -86.37 -13.47 46.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.462 1.905 . . . . 0.0 113.335 167.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.81 150.43 96.38 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.026 0.93 . . . . 0.0 112.983 -172.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.75 143.24 81.2 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.668 2.912 . . . . 0.0 112.82 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.0 -45.92 90.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.97 0.908 . . . . 0.0 112.328 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.57 -29.67 70.69 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -67.83 -38.26 82.99 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.483 0.583 . . . . 0.0 111.139 174.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.37 -41.27 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.445 -0.785 . . . . 0.0 111.493 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.13 -49.5 75.74 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.089 0.858 . . . . 0.0 110.913 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.53 -39.46 87.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.898 0.879 . . . . 0.0 112.908 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -68.61 -27.49 66.08 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.042 -1.037 . . . . 0.0 112.876 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -81.99 -55.98 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.453 1.101 . . . . 0.0 110.88 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.25 -41.94 72.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.93 1.292 . . . . 0.0 112.528 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.02 8.57 3.7 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -74.13 -13.13 60.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 167.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -0.6 78.46 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.464 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.58 151.49 19.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.527 1.164 . . . . 0.0 109.319 162.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -93.29 140.89 29.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.782 -0.574 . . . . 0.0 111.976 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 p -94.11 110.42 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.662 1.185 . . . . 0.0 108.327 169.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.0 -37.31 86.95 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.6 1.96 . . . . 0.0 111.497 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -169.7 144.69 2.93 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.287 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.44 144.32 15.18 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 125.585 1.564 . . . . 0.0 112.883 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -144.86 147.53 32.91 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.96 126.51 34.76 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 126.207 1.803 . . . . 0.0 109.76 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.001 1.32 . . . . 0.0 111.951 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.443 0.163 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.17 89.58 1.52 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 127.692 2.397 . . . . 0.0 109.601 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.62 140.73 56.13 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.667 1.187 . . . . 0.0 110.392 163.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 85.2 t -153.95 133.77 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.229 2.212 . . . . 0.0 108.662 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.6 mm -119.39 128.44 75.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 124.811 1.245 . . . . 0.0 107.859 -177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.0 145.01 50.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.156 0.583 . . . . 0.0 111.07 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.57 148.13 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.349 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 t -137.55 110.07 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.96 1.304 . . . . 0.0 109.361 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -99.82 70.38 1.62 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.94 1.296 . . . . 0.0 112.458 -168.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.44 37.26 0.03 OUTLIER Glycine 0 N--CA 1.475 1.275 0 N-CA-C 116.237 1.255 . . . . 0.0 116.237 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.2 mtp -68.39 -37.61 80.54 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -165.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.455 HG22 ' H ' ' B' ' 13' ' ' CYS 0.405 5.9 t 54.97 -124.68 2.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.57 2.348 . . . . 0.0 115.546 170.206 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . 0.455 ' H ' HG22 ' B' ' 12' ' ' THR . 2.1 m -79.97 172.45 13.76 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -154.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -64.7 -34.94 79.48 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.728 1.211 . . . . 0.0 113.604 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.26 -40.86 15.11 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 112.329 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.8 -40.27 69.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.52 1.928 . . . . 0.0 113.544 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.72 -45.09 94.38 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 125.609 1.564 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.83 46.4 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.223 0.92 . . . . 0.0 113.336 -173.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -49.69 -36.02 23.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.252 1.021 . . . . 0.0 110.655 165.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 86.2 mt -57.75 -52.32 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.525 0.73 . . . . 0.0 110.396 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.64 -50.67 72.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 112.193 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -53.22 -36.92 61.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.402 1.081 . . . . 0.0 112.934 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.67 -54.55 4.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.614 0.766 . . . . 0.0 112.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.1 -41.28 74.25 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.161 0.891 . . . . 0.0 112.501 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -71.71 1.14 7.25 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -0.08 33.65 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.339 1.855 . . . . 0.0 114.489 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -83.1 3.9 28.61 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 69.07 155.01 0.12 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 128.673 2.789 . . . . 0.0 113.43 -173.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 -32.56 0.62 Allowed Glycine 0 N--CA 1.48 1.588 0 C-N-CA 126.616 2.055 . . . . 0.0 114.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 p -43.85 129.36 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 128.608 2.763 . . . . 0.0 113.289 167.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -112.08 -38.78 4.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.079 1.352 . . . . 0.0 112.462 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.77 153.43 43.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.684 1.593 . . . . 0.0 111.45 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -159.46 100.13 1.48 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.473 1.509 . . . . 0.0 109.114 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.68 171.99 7.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.301 1.841 . . . . 0.0 110.385 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -143.09 166.44 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.18 1.792 . . . . 0.0 111.809 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 41.8 t -145.71 129.36 17.09 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.096 0.959 . . . . 0.0 111.044 163.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.98 -39.72 63.47 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.904 0.882 . . . . 0.0 111.888 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.28 -36.01 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.993 0.815 . . . . 0.0 111.733 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.419 ' HG1' ' CD ' ' B' ' 41' ' ' GLU . 73.2 p -112.5 10.99 19.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.363 1.065 . . . . 0.0 113.529 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 49.6 52.71 14.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.789 2.436 . . . . 0.0 114.236 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.419 ' CD ' ' HG1' ' B' ' 39' ' ' THR . 13.2 pt-20 -135.48 156.7 48.47 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.85 134.37 54.4 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.051 1.74 . . . . 0.0 109.125 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -113.83 96.63 5.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.151 1.78 . . . . 0.0 107.152 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.76 133.82 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.145 0.978 . . . . 0.0 112.115 -171.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.5 m -133.37 138.08 46.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.308 1.443 . . . . 0.0 108.659 -164.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -156.93 131.19 8.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.804 1.241 . . . . 0.0 110.57 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.64 -47.95 79.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.473 1.109 . . . . 0.0 111.179 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -169.95 -150.49 0.08 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.459 2.304 . . . . 0.0 110.505 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 65.26 -35.34 0.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 131.493 3.917 . . . . 0.0 116.059 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.01 162.95 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.501 1.92 . . . . 0.0 110.843 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -132.66 145.09 50.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.7 2.0 . . . . 0.0 110.939 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.92 -30.46 61.68 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.094 1.358 . . . . 0.0 113.392 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.19 -38.73 92.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.455 0.702 . . . . 0.0 112.39 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.7 m -72.72 -39.22 67.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.731 0.412 . . . . 0.0 110.98 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 85.8 mt -56.66 -47.85 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.504 0.722 . . . . 0.0 110.066 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.409 ' HE2' ' HA ' ' B' ' 67' ' ' GLU . 55.6 tttm -64.1 -9.18 14.94 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.755 1.622 . . . . 0.0 114.111 175.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -100.32 -48.13 4.69 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 120.546 -1.346 . . . . 0.0 108.86 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 12.0 mm -56.5 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 112.523 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.17 -25.31 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.42 0.688 . . . . 0.0 111.947 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.87 -28.68 19.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 119.339 -0.362 . . . . 0.0 111.767 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -62.06 -29.49 70.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.549 0.739 . . . . 0.0 110.662 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.77 -33.24 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.784 1.634 . . . . 0.0 114.508 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 14.98 20.85 Favored Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.691 1.139 . . . . 0.0 115.285 -164.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.94 -163.2 0.97 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.592 1.196 . . . . 0.0 110.724 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -156.55 144.4 19.4 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 128.379 2.672 . . . . 0.0 107.617 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 18.9 p -160.97 169.33 22.78 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -162.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.409 ' HA ' ' HE2' ' B' ' 56' ' ' LYS . 9.6 tp10 -155.4 148.96 25.14 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.449 2.3 . . . . 0.0 107.759 166.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.26 124.44 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tp -99.13 -49.99 4.3 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.803 1.241 . . . . 0.0 109.598 -164.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -155.07 150.96 27.8 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.978 1.711 . . . . 0.0 110.351 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.87 19.41 0.86 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.763 2.425 . . . . 0.0 114.444 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 130.819 3.648 . . . . 0.0 112.195 -175.113 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.82 -154.75 0.24 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.124 1.77 . . . . 0.0 112.849 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 82.72 150.59 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.703 2.401 . . . . 0.0 112.593 169.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.2 mt -54.01 138.17 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.685 1.194 . . . . 0.0 111.153 166.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -103.57 151.7 22.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.865 1.266 . . . . 0.0 110.589 171.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -111.43 126.81 55.35 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 110.449 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -120.84 143.89 48.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.705 1.202 . . . . 0.0 111.518 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -134.27 130.92 37.81 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.664 0.785 . . . . 0.0 110.146 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -124.53 153.06 42.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.64 1.976 . . . . 0.0 111.468 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -101.77 123.72 46.2 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.538 1.535 . . . . 0.0 109.979 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.66 136.85 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.122 1.369 . . . . 0.0 110.367 -167.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.45 118.58 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.684 0.794 . . . . 0.0 111.596 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.1 mtm -145.37 135.04 23.41 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -175.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -84.37 -29.67 26.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.714 2.006 . . . . 0.0 115.554 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.2 p -166.58 165.64 16.61 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 -161.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -67.78 -16.5 64.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.59 -41.94 34.26 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.744 1.164 . . . . 0.0 111.123 169.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -58.51 -52.13 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.871 0.868 . . . . 0.0 110.949 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.7 p -66.54 -24.53 66.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.46 -42.77 47.49 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.245 0.929 . . . . 0.0 112.089 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.23 72.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.469 1.108 . . . . 0.0 111.71 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.43 -50.6 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.419 0.687 . . . . 0.0 110.202 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.53 -38.69 69.59 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.517 0.599 . . . . 0.0 112.518 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.95 -32.72 74.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.35 -37.48 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.877 1.217 . . . . 0.0 110.906 171.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.59 -22.23 62.58 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.5 m -55.66 -26.58 45.37 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.455 1.502 . . . . 0.0 113.202 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.6 -24.74 34.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.44 1.496 . . . . 0.0 113.395 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -105.49 2.95 28.97 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.113 1.765 . . . . 0.0 113.974 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -53.43 -23.43 0.83 Allowed Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.37 -27.41 84.81 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 122.521 1.936 . . . . 0.0 113.454 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -121.82 -23.75 5.41 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.29 1.436 . . . . 0.0 114.177 -175.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.7 125.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.79 1.636 . . . . 0.0 109.516 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -81.95 -35.28 29.23 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -159.54 137.09 9.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 113.727 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.2 136.08 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.181 1.792 . . . . 0.0 109.285 163.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -143.89 119.24 10.24 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.61 1.164 . . . . 0.0 111.349 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.31 137.57 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.904 0.881 . . . . 0.0 110.988 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -114.88 87.03 2.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.223 1.809 . . . . 0.0 109.547 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.09 -45.32 83.45 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.484 1.114 . . . . 0.0 113.706 -167.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -67.1 -27.62 67.49 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -93.45 -4.23 51.63 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.024 0.93 . . . . 0.0 112.622 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 59.34 29.34 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.338 2.255 . . . . 0.0 113.184 -176.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.28 152.81 21.09 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 112.868 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.95 129.59 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.345 1.858 . . . . 0.0 109.379 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -113.99 134.43 54.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.764 1.626 . . . . 0.0 111.687 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.88 143.94 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.088 1.355 . . . . 0.0 110.879 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -125.04 120.49 31.65 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.883 1.673 . . . . 0.0 110.76 169.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -169.22 172.47 7.31 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 p -106.78 6.19 29.31 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.169 2.988 . . . . 0.0 113.127 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.8 159.96 79.93 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.485 1.114 . . . . 0.0 111.577 171.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -65.56 146.94 85.96 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.4 2.734 . . . . 0.0 113.69 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -53.13 -54.17 39.66 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.73 -27.5 64.01 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 112.927 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.406 ' CZ ' ' HE2' ' A' ' 59' ' ' LYS . 68.3 t80 -65.45 -39.29 91.86 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.77 -0.581 . . . . 0.0 110.983 172.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.4 mm -68.88 -40.73 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.487 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.45 -43.69 79.75 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.638 1.108 . . . . 0.0 111.309 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -62.48 -43.51 98.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.141 0.976 . . . . 0.0 113.278 175.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.406 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 mmtt -72.8 -19.46 61.33 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.988 1.267 . . . . 0.0 113.034 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -73.14 -53.44 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.126 -0.984 . . . . 0.0 110.167 164.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -57.43 -31.86 66.32 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.45 1.023 . . . . 0.0 113.348 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -31.98 22.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.38 1.472 . . . . 0.0 113.89 170.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 44.1 p -63.11 -16.38 59.79 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.833 1.253 . . . . 0.0 114.191 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.92 -0.11 83.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.578 1.085 . . . . 0.0 114.06 -173.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.69 165.91 11.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.122 1.369 . . . . 0.0 111.41 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.87 137.46 33.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.949 1.7 . . . . 0.0 112.527 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.23 136.18 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.448 1.499 . . . . 0.0 109.199 163.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -101.63 -40.0 7.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.844 1.258 . . . . 0.0 113.587 -173.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 p -159.8 161.84 34.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.419 1.008 . . . . 0.0 111.265 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.03 154.48 17.2 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.26 167.26 29.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.584 1.554 . . . . 0.0 113.551 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.2 142.97 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.81 0.844 . . . . 0.0 110.655 158.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.942 -174.769 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -70.08 95.88 1.01 Allowed 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 127.987 2.515 . . . . 0.0 109.983 -173.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.94 137.15 58.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.855 156.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.0 144.72 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.677 0.751 . . . . 0.0 110.714 161.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -119.24 129.82 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.191 1.796 . . . . 0.0 107.29 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.31 142.68 48.88 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.469 0.577 . . . . 0.0 111.004 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 118.53 22.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.822 168.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.55 101.99 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.669 1.122 . . . . 0.0 108.672 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -75.92 -32.23 59.5 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.479 0.712 . . . . 0.0 112.81 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.2 -7.2 68.0 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.941 1.258 . . . . 0.0 115.664 -168.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.2 ptm -71.09 161.4 31.18 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.418 1.609 . . . . 0.0 111.675 173.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -140.67 -16.28 0.9 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 165.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 p -137.47 170.25 16.4 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -172.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -86.36 -1.97 58.01 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.51 -47.68 6.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.442 1.097 . . . . 0.0 112.743 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.81 -29.03 69.97 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.927 0.891 . . . . 0.0 112.834 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -29.76 68.23 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.34 1.056 . . . . 0.0 112.576 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -20.02 65.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.928 1.24 . . . . 0.0 112.426 174.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -57.3 -32.17 66.4 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.931 1.241 . . . . 0.0 110.842 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.77 -50.52 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.478 0.581 . . . . 0.0 109.742 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -59.17 -51.13 71.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -54.44 -38.94 66.9 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.314 1.415 . . . . 0.0 113.944 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.81 -33.51 24.92 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.747 1.158 . . . . 0.0 113.406 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.3 mt -80.47 -39.71 27.55 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.575 1.08 . . . . 0.0 112.686 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -61.94 -7.36 3.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.981 1.313 . . . . 0.0 113.661 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.99 -33.36 14.17 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.299 2.9 pp -83.54 17.48 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 117.614 2.45 . . . . 0.0 117.614 -160.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt 69.29 27.23 5.15 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.811 2.044 . . . . 0.0 114.296 167.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.62 -16.08 0.46 Allowed Glycine 0 N--CA 1.478 1.454 0 N-CA-C 117.768 1.867 . . . . 0.0 117.768 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.28 137.74 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.607 1.963 . . . . 0.0 110.789 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 43.6 p -93.46 -40.48 10.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.076 0.951 . . . . 0.0 111.85 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -161.36 157.55 25.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.148 1.379 . . . . 0.0 112.26 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -152.19 104.64 2.98 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.476 1.91 . . . . 0.0 110.253 -175.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -107.05 -176.49 3.09 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 110.778 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -156.16 139.4 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.357 1.463 . . . . 0.0 110.233 -175.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 65.1 m -114.15 109.25 18.11 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.041 0.936 . . . . 0.0 109.327 167.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.56 -35.64 73.19 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.681 1.592 . . . . 0.0 115.008 -163.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.1 t -73.4 -35.27 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.976 0.807 . . . . 0.0 112.072 -178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 10.3 p -96.34 -9.14 30.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.623 1.569 . . . . 0.0 113.325 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.12 30.99 13.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.302 2.241 . . . . 0.0 113.094 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -84.48 118.74 24.48 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.007 1.323 . . . . 0.0 109.763 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.48 122.23 30.94 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 165.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -119.54 90.22 3.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -164.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -122.17 148.39 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.182 1.393 . . . . 0.0 112.706 -167.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -141.66 117.81 10.67 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.313 1.445 . . . . 0.0 108.778 -167.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.58 -158.47 0.92 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.357 1.063 . . . . 0.0 110.914 -164.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -153.84 176.34 12.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.711 1.604 . . . . 0.0 113.52 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -41.17 -32.65 0.29 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 128.778 2.831 . . . . 0.0 116.294 -170.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.4 -35.62 3.77 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.738 2.415 . . . . 0.0 113.795 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.28 156.58 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.708 1.203 . . . . 0.0 111.014 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 154.07 37.95 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.955 1.702 . . . . 0.0 111.204 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.14 -31.57 63.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.362 1.065 . . . . 0.0 112.443 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.37 -33.49 73.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.92 0.888 . . . . 0.0 112.438 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m -85.15 -31.35 23.32 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.271 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.03 -40.66 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 172.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.6 2.45 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.468 1.907 . . . . 0.0 115.568 167.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -110.81 -46.55 3.34 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.537 1.135 . . . . 0.0 109.373 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -56.81 -48.57 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.075 1.35 . . . . 0.0 112.685 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.9 -24.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.047 -1.033 . . . . 0.0 110.936 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -88.81 -26.06 21.89 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.267 2.7 p30 -89.72 -5.98 56.49 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.052 1.296 . . . . 0.0 114.215 172.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 78.0 m -76.03 -22.35 55.84 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.986 153.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.25 16.3 12.53 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.537 1.541 . . . . 0.0 116.636 175.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -98.3 -148.37 0.33 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.986 1.893 . . . . 0.0 110.742 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -160.44 155.38 24.37 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.105 1.362 . . . . 0.0 108.534 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -166.64 165.79 16.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.62 158.46 43.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.346 1.858 . . . . 0.0 109.878 161.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.93 113.81 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tp -92.82 -44.37 8.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.828 1.251 . . . . 0.0 109.686 -165.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -157.81 156.34 31.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.425 2.29 . . . . 0.0 109.264 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.99 18.36 2.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.829 2.051 . . . . 0.0 112.578 166.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.255 1.373 1 C-N-CA 132.9 4.48 . . . . 0.0 109.281 -165.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.72 168.07 14.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.539 1.935 . . . . 0.0 111.442 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.73 162.31 33.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.179 0.992 . . . . 0.0 112.348 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.45 114.5 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.543 1.137 . . . . 0.0 110.5 172.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -104.65 156.56 17.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.653 1.181 . . . . 0.0 111.445 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -104.85 142.16 35.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.281 1.032 . . . . 0.0 112.072 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.3 149.23 42.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.604 1.561 . . . . 0.0 110.853 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -141.77 133.47 27.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.711 0.805 . . . . 0.0 111.488 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -127.71 142.1 51.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.247 1.419 . . . . 0.0 111.312 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.24 124.46 36.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.397 1.079 . . . . 0.0 108.995 161.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.42 139.28 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.718 1.207 . . . . 0.0 109.754 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -72.24 115.03 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.356 0.662 . . . . 0.0 109.752 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.9 mtm -137.19 121.91 18.63 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.564 1.146 . . . . 0.0 110.113 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.9 m -91.55 -30.36 16.44 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.027 0.931 . . . . 0.0 113.171 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -151.39 170.68 18.98 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 126.506 1.922 . . . . 0.0 111.734 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 m -71.26 -6.52 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.57 61.07 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 120.777 -1.202 . . . . 0.0 111.008 169.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.65 -45.47 90.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.768 0.784 . . . . 0.0 112.587 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -63.32 -38.31 90.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.629 1.104 . . . . 0.0 112.299 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -35.63 89.24 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.748 0.704 . . . . 0.0 113.089 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.13 72.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.119 0.968 . . . . 0.0 111.765 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.7 -43.93 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.227 0.611 . . . . 0.0 110.647 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.45 -47.81 72.45 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.913 0.779 . . . . 0.0 110.931 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.2 -39.74 79.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.391 0.996 . . . . 0.0 112.792 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.76 -46.85 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.762 1.165 . . . . 0.0 111.806 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.9 -33.66 30.34 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -67.44 -15.76 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.167 1.387 . . . . 0.0 112.493 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -74.81 -7.8 54.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.468 1.507 . . . . 0.0 113.74 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.5 mt -125.92 8.29 7.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.372 1.469 . . . . 0.0 114.672 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -48.2 -36.62 11.6 Favored Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 116.439 2.015 . . . . 0.0 116.439 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -53.95 -17.84 11.72 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.396 2.064 . . . . 0.0 115.858 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -119.36 -0.25 10.98 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.534 1.133 . . . . 0.0 113.373 173.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.14 118.81 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 109.098 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -98.25 -19.4 17.85 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 -168.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -156.87 139.65 15.16 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.472 1.109 . . . . 0.0 111.444 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -128.79 132.48 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.904 2.082 . . . . 0.0 107.859 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -145.42 105.17 3.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.184 0.993 . . . . 0.0 111.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mm -102.05 121.91 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.852 1.661 . . . . 0.0 110.382 -174.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -117.59 97.98 6.15 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.001 1.32 . . . . 0.0 110.717 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.95 -44.75 84.12 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.268 -0.895 . . . . 0.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.01 -48.07 83.25 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.24 0.927 . . . . 0.0 111.071 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -87.85 2.77 50.57 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.737 1.215 . . . . 0.0 113.508 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 53.23 25.42 4.35 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.657 2.783 . . . . 0.0 115.629 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.18 152.21 23.1 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.073 1.349 . . . . 0.0 113.339 -172.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.58 119.2 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 127.177 2.191 . . . . 0.0 107.748 174.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.3 121.24 39.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 109.775 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.37 140.89 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.647 0.779 . . . . 0.0 112.107 -171.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -117.31 123.72 47.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.195 1.798 . . . . 0.0 111.137 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -163.46 153.22 15.15 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.0 p -77.8 -10.23 59.44 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.144 1.778 . . . . 0.0 113.554 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.53 150.36 96.09 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.687 1.195 . . . . 0.0 112.575 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.59 150.84 36.23 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.634 2.889 . . . . 0.0 111.659 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.58 -44.95 89.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.83 -23.28 66.65 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -71.78 -34.54 69.52 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.34 -0.85 . . . . 0.0 111.912 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.99 -40.93 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.419 -0.8 . . . . 0.0 109.943 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.21 -41.56 97.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.419 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.07 -44.17 82.8 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.351 0.978 . . . . 0.0 112.954 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.73 -50.36 72.72 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.363 0.983 . . . . 0.0 110.5 174.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.05 -50.56 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.339 1.055 . . . . 0.0 111.737 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -66.56 -27.76 67.99 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.796 -1.19 . . . . 0.0 112.392 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -84.91 -9.64 57.9 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -9.28 58.29 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -169.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.63 87.09 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 119.564 1.075 . . . . 0.0 115.273 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -129.92 132.61 46.42 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.798 1.639 . . . . 0.0 109.067 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.7 141.97 55.15 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.981 0.512 . . . . 0.0 112.35 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.91 131.57 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 109.739 172.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -91.24 -43.66 9.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.76 0.824 . . . . 0.0 112.8 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p -158.17 126.07 5.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.845 0.858 . . . . 0.0 111.623 -171.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.01 131.08 6.29 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.903 1.239 . . . . 0.0 113.054 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -140.41 152.89 46.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.414 1.086 . . . . 0.0 113.754 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.33 139.7 38.94 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.557 1.943 . . . . 0.0 110.084 167.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.978 1.311 . . . . 0.0 113.389 -168.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -125.05 98.91 5.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.984 1.313 . . . . 0.0 111.017 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.54 126.57 28.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.912 1.285 . . . . 0.0 111.235 165.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.26 146.73 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.982 1.713 . . . . 0.0 109.624 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.06 127.05 69.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.15 151.0 24.58 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.741 0.7 . . . . 0.0 109.515 170.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.36 143.29 29.57 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 160.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.88 91.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.137 1.375 . . . . 0.0 109.112 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.11 25.09 0.16 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.72 20.75 2.72 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-O 118.117 -1.38 . . . . 0.0 116.379 -170.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.95 155.33 6.34 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.659 1.729 . . . . 0.0 114.518 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -166.93 175.46 7.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.599 1.959 . . . . 0.0 109.881 -161.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.25 176.45 2.75 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 128.164 2.586 . . . . 0.0 115.259 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -66.8 -23.28 66.04 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -164.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.35 -11.89 33.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.77 1.168 . . . . 0.0 113.653 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -99.08 -23.31 15.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.021 2.128 . . . . 0.0 113.004 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.93 -36.13 42.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.196 1.398 . . . . 0.0 113.754 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -67.46 -14.33 62.83 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -50.31 -31.28 13.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.038 0.935 . . . . 0.0 110.97 161.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.1 -73.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.312 0.645 . . . . 0.0 111.244 165.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -31.36 71.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -162.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.8 m -59.8 -38.52 82.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.174 0.897 . . . . 0.0 111.69 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.67 -36.66 57.18 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.357 0.98 . . . . 0.0 112.475 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 74.2 mt -58.27 -30.91 66.96 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.222 0.919 . . . . 0.0 111.981 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -77.4 -23.86 50.58 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.629 1.172 . . . . 0.0 114.091 170.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -35.62 51.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.876 -1.14 . . . . 0.0 113.736 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.33 10.98 9.18 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 -160.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 67.05 178.26 0.23 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 128.509 2.723 . . . . 0.0 113.082 -175.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.12 -47.05 1.9 Allowed Glycine 0 N--CA 1.478 1.487 0 C-N-CA 127.038 2.256 . . . . 0.0 115.706 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.8 131.88 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.894 2.077 . . . . 0.0 111.318 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -108.73 -28.29 9.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.442 1.497 . . . . 0.0 111.991 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -148.11 148.09 30.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.533 1.133 . . . . 0.0 111.601 170.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.2 p -145.72 148.37 32.94 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.655 0.782 . . . . 0.0 113.028 171.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -154.9 158.46 39.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.707 2.003 . . . . 0.0 110.168 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.53 138.01 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.389 1.475 . . . . 0.0 112.102 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -119.62 90.42 3.33 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.221 1.408 . . . . 0.0 110.459 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -52.54 -46.57 66.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.24 1.816 . . . . 0.0 113.034 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.44 -32.47 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.001 0.92 . . . . 0.0 113.21 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -114.45 2.63 14.7 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.761 1.625 . . . . 0.0 113.626 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.92 37.28 24.0 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.375 1.87 . . . . 0.0 113.444 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -122.62 169.64 10.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.285 1.434 . . . . 0.0 111.417 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -137.59 134.7 35.88 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.521 -0.737 . . . . 0.0 112.552 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -93.78 95.36 9.09 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.1 138.16 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 0.0 110.283 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -134.27 127.24 31.43 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.314 1.046 . . . . 0.0 109.32 -167.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.8 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.931 0.892 . . . . 0.0 112.761 -168.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -153.22 -177.49 6.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.133 2.573 . . . . 0.0 109.964 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.38 -18.85 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.304 1.442 . . . . 0.0 113.676 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -49.46 -23.91 1.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.436 2.294 . . . . 0.0 113.842 168.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -156.4 163.06 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.64 1.564 . . . . 0.0 112.145 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -125.51 145.9 49.89 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.494 1.518 . . . . 0.0 111.971 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -16.93 51.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.291 1.436 . . . . 0.0 113.455 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.7 -28.46 50.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.032 0.933 . . . . 0.0 112.938 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -78.7 -46.51 18.89 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 170.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -54.23 -43.95 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.242 0.617 . . . . 0.0 110.262 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -50.54 -49.4 56.01 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 123.521 0.728 . . . . 0.0 112.95 172.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -78.27 -26.46 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.282 1.401 . . . . 0.0 110.781 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.32 -51.85 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.834 1.253 . . . . 0.0 110.781 168.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mm -75.97 -23.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 121.3 -0.875 . . . . 0.0 111.618 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.05 -32.37 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.755 0.822 . . . . 0.0 111.924 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.04 -21.11 61.58 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.937 1.244 . . . . 0.0 113.732 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.58 -18.79 61.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.525 1.13 . . . . 0.0 113.489 170.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.76 23.17 8.41 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.175 1.369 . . . . 0.0 115.329 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.47 -158.23 0.65 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.678 1.239 . . . . 0.0 110.109 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.43 16.74 2.03 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -163.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.82 154.37 39.53 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -162.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -160.06 145.78 15.41 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.719 1.607 . . . . 0.0 108.241 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 tt -54.05 131.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.654 0.74 . . . . 0.0 112.25 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -95.97 -52.29 4.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.321 1.448 . . . . 0.0 107.849 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -162.42 138.89 7.72 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.909 1.284 . . . . 0.0 111.426 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.13 60.97 0.43 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.785 2.434 . . . . 0.0 111.634 167.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 130.015 3.326 . . . . 0.0 113.628 177.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.06 47.59 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.683 1.593 . . . . 0.0 111.088 -168.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -98.38 165.05 12.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.609 1.564 . . . . 0.0 110.863 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.94 138.17 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.883 0.849 . . . . 0.0 110.941 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -112.37 159.02 19.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.928 2.091 . . . . 0.0 110.685 165.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -117.59 140.78 49.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.341 1.456 . . . . 0.0 111.286 171.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.5 150.9 44.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.602 1.961 . . . . 0.0 110.673 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -136.57 134.74 37.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.519 -0.738 . . . . 0.0 110.543 172.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.66 138.03 52.7 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.895 1.278 . . . . 0.0 111.175 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.66 119.85 35.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.413 1.485 . . . . 0.0 109.222 166.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.51 130.68 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.746 1.218 . . . . 0.0 110.833 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.55 97.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.19 0.996 . . . . 0.0 109.401 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -73.32 -31.33 63.93 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -161.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p 73.97 -36.92 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 129.685 3.194 . . . . 0.0 114.445 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.54 175.29 10.0 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 127.73 2.412 . . . . 0.0 110.567 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 m -71.41 -16.39 62.39 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.72 73.17 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.912 0.778 . . . . 0.0 113.47 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.01 -44.85 64.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.737 1.215 . . . . 0.0 112.828 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -59.05 -22.13 60.23 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.4 -41.44 4.82 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 125.042 1.306 . . . . 0.0 112.315 170.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.62 55.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.376 1.07 . . . . 0.0 112.044 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.04 -41.09 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.146 0.578 . . . . 0.0 110.545 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -55.13 -51.24 67.08 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.257 0.623 . . . . 0.0 110.871 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -61.35 -47.9 83.78 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.571 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.35 -43.31 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 120.27 1.396 . . . . 0.0 111.528 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.81 -28.42 62.55 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.343 -0.848 . . . . 0.0 112.984 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -62.6 -30.53 71.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.256 1.022 . . . . 0.0 111.935 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -56.39 -21.26 23.79 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.665 1.12 . . . . 0.0 113.531 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -112.36 11.89 20.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.696 1.598 . . . . 0.0 113.785 -170.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.01 -30.91 6.36 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.72 -17.89 52.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 121.891 1.711 . . . . 0.0 113.607 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -107.96 -35.16 6.7 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 112.785 168.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.36 105.75 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.045 1.738 . . . . 0.0 110.801 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 p -84.44 -18.22 36.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.401 1.48 . . . . 0.0 114.818 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -162.38 136.32 6.41 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.272 1.029 . . . . 0.0 112.954 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.37 127.56 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.936 1.694 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.07 138.51 40.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.867 1.267 . . . . 0.0 111.186 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.2 mm -105.29 146.44 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -131.49 101.44 5.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.889 1.275 . . . . 0.0 110.813 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.13 -51.43 63.95 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.5 -52.05 50.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.137 0.881 . . . . 0.0 110.857 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.05 -4.56 25.64 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.211 1.404 . . . . 0.0 113.327 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 55.9 30.96 16.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.709 2.004 . . . . 0.0 113.621 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.94 155.99 17.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.819 1.248 . . . . 0.0 113.162 -175.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.31 131.83 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.339 1.856 . . . . 0.0 109.174 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.71 118.45 36.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.284 1.834 . . . . 0.0 110.066 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.66 134.82 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.714 1.206 . . . . 0.0 110.866 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.58 132.55 54.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.442 1.497 . . . . 0.0 109.646 168.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.92 154.1 7.51 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -171.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -75.62 -6.75 51.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.556 1.542 . . . . 0.0 113.562 169.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.86 157.81 78.7 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.835 1.654 . . . . 0.0 113.868 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.58 159.8 48.05 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.96 3.107 . . . . 0.0 112.138 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.96 -52.79 17.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.053 1.341 . . . . 0.0 113.861 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.39 -21.85 66.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.66 -39.87 94.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.586 0.754 . . . . 0.0 111.583 170.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.2 mm -73.91 -38.87 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.304 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.87 -50.23 64.22 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.462 0.574 . . . . 0.0 110.957 173.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.32 -44.21 79.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.582 0.753 . . . . 0.0 112.885 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.89 -33.53 71.96 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.156 1.344 . . . . 0.0 112.771 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.59 -59.77 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.748 1.219 . . . . 0.0 110.483 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.17 -35.65 69.83 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.574 1.079 . . . . 0.0 113.187 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 3.22 20.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -63.23 -33.48 75.58 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.234 -0.916 . . . . 0.0 112.065 163.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.97 -3.0 14.58 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.116 1.341 . . . . 0.0 114.008 -170.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -108.52 141.83 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.751 1.276 . . . . 0.0 112.085 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -81.78 158.44 24.12 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.594 1.158 . . . . 0.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.38 143.89 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.619 1.168 . . . . 0.0 111.322 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.45 -42.95 21.73 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.312 -0.242 . . . . 0.0 110.998 172.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -171.61 148.6 2.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.365 1.066 . . . . 0.0 112.951 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.6 159.57 21.03 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.404 1.002 . . . . 0.0 111.529 159.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -140.86 150.63 43.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.989 0.899 . . . . 0.0 113.15 167.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -98.44 130.03 45.06 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.898 2.079 . . . . 0.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.257 1.823 . . . . 0.0 111.262 -174.598 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -161.49 117.45 2.12 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.687 1.195 . . . . 0.0 112.398 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -66.78 132.18 47.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.688 1.195 . . . . 0.0 109.352 154.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.37 142.58 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.822 1.649 . . . . 0.0 111.884 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -118.76 108.7 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.864 1.666 . . . . 0.0 107.685 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.56 135.82 45.26 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.409 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.09 145.93 35.51 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.741 1.155 . . . . 0.0 110.374 170.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.52 113.62 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.12 1.368 . . . . 0.0 107.739 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -84.39 25.82 0.84 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -165.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.31 18.44 2.67 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.251 1.405 . . . . 0.0 115.488 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.7 mmt -51.45 151.8 2.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.967 1.384 . . . . 0.0 113.703 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -170.26 -148.7 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.997 1.719 . . . . 0.0 110.465 -160.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -74.51 172.62 11.65 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.904 1.681 . . . . 0.0 114.08 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -75.67 -26.57 57.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -155.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.9 13.35 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.648 1.113 . . . . 0.0 111.366 174.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -56.5 -37.01 69.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.931 1.293 . . . . 0.0 112.505 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.4 p -79.14 -56.1 4.62 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.417 1.487 . . . . 0.0 112.871 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -71.52 6.79 1.67 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.747 1.158 . . . . 0.0 114.104 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -38.96 -49.81 1.72 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.218 1.007 . . . . 0.0 110.596 145.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.17 -55.87 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.762 0.825 . . . . 0.0 110.686 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -58.38 -44.91 89.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.46 0.704 . . . . 0.0 111.722 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 48.6 m -45.93 -35.01 4.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.719 1.208 . . . . 0.0 114.103 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -91.55 -47.91 7.15 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.561 1.528 . . . . 0.0 113.382 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pp -70.76 -29.89 66.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.988 1.267 . . . . 0.0 113.341 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -60.06 -29.55 68.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.519 1.054 . . . . 0.0 112.192 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.93 -6.69 59.02 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -169.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.271 3.8 pp -73.48 10.54 1.01 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -169.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt 59.08 28.51 17.81 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.647 2.779 . . . . 0.0 113.757 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.64 -3.93 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.332 1.92 . . . . 0.0 116.651 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.8 t -94.6 129.02 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.146 1.473 . . . . 0.0 108.438 173.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 24.4 m -97.95 -47.72 5.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.219 1.008 . . . . 0.0 110.944 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -136.14 148.84 48.4 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.901 1.681 . . . . 0.0 109.901 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 p -176.2 133.65 0.25 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.817 1.247 . . . . 0.0 113.981 -167.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.75 -178.89 6.0 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.441 2.696 . . . . 0.0 108.776 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.19 153.13 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.05 2.14 . . . . 0.0 110.985 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -135.23 148.48 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.2 1.4 . . . . 0.0 109.223 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.26 12.46 29.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.12 -35.7 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.804 0.729 . . . . 0.0 110.925 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.41 -20.55 8.42 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.354 1.462 . . . . 0.0 111.476 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.253 78.0 m-20 90.2 47.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.802 3.241 . . . . 0.0 110.504 -174.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -111.04 149.43 30.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.731 1.612 . . . . 0.0 114.465 -170.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.6 m -91.15 126.48 36.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.565 1.146 . . . . 0.0 109.098 161.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.32 85.47 2.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.323 1.049 . . . . 0.0 108.947 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.72 157.29 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.79 1.636 . . . . 0.0 112.009 -160.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.2 m -147.47 136.26 22.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.979 1.712 . . . . 0.0 109.504 -173.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.64 147.13 37.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 123.213 1.482 . . . . 0.0 111.261 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.36 -68.22 0.64 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 128.729 2.812 . . . . 0.0 113.589 -173.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 178.0 154.6 0.34 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.408 2.683 . . . . 0.0 108.917 -173.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 80.38 36.17 0.12 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 129.583 3.153 . . . . 0.0 111.099 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.9 t -159.02 148.7 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.543 2.337 . . . . 0.0 108.714 -161.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -148.41 147.66 29.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 110.545 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.37 -27.01 67.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.19 -35.65 69.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.694 1.198 . . . . 0.0 112.61 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 m -78.83 -37.02 41.6 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.118 0.967 . . . . 0.0 111.651 175.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.14 -35.68 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.624 -0.673 . . . . 0.0 110.285 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -54.76 -33.69 61.58 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.856 -1.152 . . . . 0.0 112.661 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.85 -28.55 55.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.057 1.299 . . . . 0.0 110.62 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.14 -47.4 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.11 1.364 . . . . 0.0 110.101 171.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.37 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.72 -32.88 60.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.881 0.472 . . . . 0.0 111.574 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.37 -19.75 63.84 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -81.74 -4.29 55.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.808 1.643 . . . . 0.0 112.683 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.91 9.54 65.82 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.477 1.513 . . . . 0.0 116.329 172.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.14 -155.25 0.43 Allowed 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.897 1.848 . . . . 0.0 111.892 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.25 137.0 17.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.997 2.119 . . . . 0.0 107.152 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -167.61 158.3 11.13 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -155.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.24 17.41 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.904 1.281 . . . . 0.0 110.601 -171.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 tp -75.89 107.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.54 -43.91 16.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 109.085 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -155.37 145.58 21.79 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.754 2.022 . . . . 0.0 108.006 169.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.29 47.59 0.57 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.135 -0.978 . . . . 0.0 112.211 161.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.253 1.266 0 C-N-CA 130.857 3.663 . . . . 0.0 111.805 -168.264 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.773 -0.084 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.16 155.65 24.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.982 1.313 . . . . 0.0 112.659 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -84.43 45.55 1.14 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.909 2.084 . . . . 0.0 112.612 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.9 mt -81.74 113.85 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 125.977 1.711 . . . . 0.0 110.391 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -85.76 162.0 18.91 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.928 1.291 . . . . 0.0 111.55 169.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -121.91 121.8 37.94 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.24 1.816 . . . . 0.0 110.103 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.12 149.17 43.96 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.768 1.227 . . . . 0.0 111.198 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -129.33 146.31 51.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.443 1.097 . . . . 0.0 109.875 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -138.94 141.79 38.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.761 1.624 . . . . 0.0 110.283 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -106.13 116.85 32.64 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.74 2.016 . . . . 0.0 108.357 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.57 139.85 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.4 1.08 . . . . 0.0 109.765 -161.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.57 113.83 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 122.961 0.504 . . . . 0.0 109.791 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.5 tpp -125.69 104.58 8.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.409 1.084 . . . . 0.0 110.002 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -81.85 -21.85 37.3 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -164.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -160.21 167.96 26.46 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.601 1.56 . . . . 0.0 112.598 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -67.99 -15.94 63.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.838 -1.164 . . . . 0.0 112.896 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.72 -38.15 37.74 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.476 1.036 . . . . 0.0 111.735 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.0 -45.6 92.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.671 1.188 . . . . 0.0 110.84 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -55.29 -45.96 76.2 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.968 0.507 . . . . 0.0 112.122 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.73 -40.17 98.87 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 123.296 0.474 . . . . 0.0 112.706 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.23 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.694 1.197 . . . . 0.0 112.01 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.71 -43.35 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.478 -0.764 . . . . 0.0 110.931 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.08 -35.74 75.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.334 -0.853 . . . . 0.0 112.272 172.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -62.93 -46.2 88.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.783 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.6 t -52.14 -50.54 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 119.429 1.013 . . . . 0.0 111.283 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.32 -22.49 57.62 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -68.41 -26.17 65.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.026 1.284 . . . . 0.0 111.84 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -56.81 -15.73 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.451 -1.406 . . . . 0.0 113.456 165.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.0 mt -107.91 9.47 28.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.8 1.64 . . . . 0.0 113.551 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -50.08 -29.97 2.84 Favored Pre-proline 0 N--CA 1.48 1.047 0 CA-C-N 121.834 2.106 . . . . 0.0 115.835 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -58.47 -18.4 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 CA-C-N 121.354 1.519 . . . . 0.0 114.607 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.65 -19.21 3.77 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.503 1.921 . . . . 0.0 113.79 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.95 134.27 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 109.591 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -91.15 -46.52 8.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.637 0.775 . . . . 0.0 112.667 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -156.34 136.09 12.54 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.41 1.084 . . . . 0.0 112.269 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.59 132.69 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.199 1.4 . . . . 0.0 110.042 169.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -139.85 116.77 11.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.127 0.971 . . . . 0.0 111.481 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.52 142.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.729 1.612 . . . . 0.0 110.332 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -127.06 97.41 4.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.347 1.859 . . . . 0.0 109.466 171.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.0 -48.95 64.35 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -166.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -43.44 89.35 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.134 1.334 . . . . 0.0 111.002 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -82.59 0.76 41.39 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.441 1.896 . . . . 0.0 113.445 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 52.55 38.21 25.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.363 2.665 . . . . 0.0 114.781 174.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.278 3.7 pp -125.01 157.2 36.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.78 130.5 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 126.53 1.932 . . . . 0.0 108.559 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -107.83 137.53 45.68 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.018 1.727 . . . . 0.0 109.752 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.55 147.48 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.846 1.259 . . . . 0.0 110.953 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.47 130.48 49.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.873 1.669 . . . . 0.0 110.496 166.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -167.54 154.79 8.55 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.75 1.159 . . . . 0.0 113.374 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.2 p -80.27 -12.41 59.62 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.869 1.268 . . . . 0.0 112.894 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.33 152.36 96.54 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 112.819 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -71.44 151.58 59.56 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.448 2.766 . . . . 0.0 111.981 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.37 -42.89 87.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.84 1.256 . . . . 0.0 113.411 -171.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.83 -23.19 67.16 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.799 1.24 . . . . 0.0 112.763 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.88 -37.88 58.43 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 111.673 173.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.7 mm -71.12 -39.61 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.954 0.902 . . . . 0.0 111.939 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.02 -47.21 68.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.517 0.599 . . . . 0.0 111.053 173.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.28 -31.9 70.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.7 -46.28 90.36 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 120.155 1.343 . . . . 0.0 111.275 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.15 -52.04 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.19 0.996 . . . . 0.0 110.462 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -53.9 -37.32 63.65 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.205 1.002 . . . . 0.0 112.42 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -63.33 -23.38 67.39 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.7 p -73.08 -18.43 61.31 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -174.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.73 2.81 88.54 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.357 0.98 . . . . 0.0 114.76 -173.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -94.87 127.79 41.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.315 1.446 . . . . 0.0 109.178 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.14 136.12 38.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.809 0.731 . . . . 0.0 112.623 -172.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -88.66 144.64 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.325 1.05 . . . . 0.0 111.347 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -110.44 -50.78 2.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 112.263 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -155.15 171.32 19.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.655 1.982 . . . . 0.0 110.345 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.92 171.09 42.52 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.57 1.081 . . . . 0.0 114.284 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -163.64 164.63 23.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.08 145.97 26.58 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.746 1.619 . . . . 0.0 111.055 162.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.127 1.371 . . . . 0.0 112.998 -170.169 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -161.69 126.36 3.41 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.252 1.821 . . . . 0.0 111.416 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.31 153.33 43.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.391 2.276 . . . . 0.0 111.655 166.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.71 138.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.538 1.135 . . . . 0.0 111.827 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.5 mm -119.08 128.18 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.41 145.25 48.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.911 0.778 . . . . 0.0 112.059 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.91 137.68 32.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.36 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.2 112.17 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.137 1.775 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.18 -0.46 49.4 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -164.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.72 23.71 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.339 1.924 . . . . 0.0 115.734 -165.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.79 134.87 36.49 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 120.105 1.952 . . . . 0.0 113.885 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -110.47 -152.19 0.49 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 127.256 2.222 . . . . 0.0 110.379 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.57 -35.77 15.71 Favored 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -160.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.3 t -169.55 -121.12 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.223 1.009 . . . . 0.0 112.364 -168.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -19.49 62.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.416 1.486 . . . . 0.0 114.941 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 p -50.25 -45.98 54.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.72 1.208 . . . . 0.0 111.691 164.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -71.55 -39.99 70.3 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 124.347 1.059 . . . . 0.0 112.968 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -65.35 -9.55 25.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.325 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 60.3 p -51.67 -35.83 44.05 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.504 1.502 . . . . 0.0 112.438 165.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.01 -57.7 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.5 1.12 . . . . 0.0 110.898 167.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.23 -48.13 81.35 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.77 0.714 . . . . 0.0 112.326 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -50.47 -44.65 55.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.631 1.172 . . . . 0.0 112.599 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -77.28 -45.52 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.442 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.53 -44.53 82.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.08 1.309 . . . . 0.0 112.969 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.69 -29.55 64.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.949 0.899 . . . . 0.0 111.981 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.0 -5.65 54.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.16 129.86 34.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.201 1.364 . . . . 0.0 112.845 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -51.21 126.61 17.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.975 0.91 . . . . 0.0 110.113 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.39 -32.55 6.61 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.252 1.882 . . . . 0.0 114.388 -174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.74 114.56 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.649 1.725 . . . . 0.0 109.541 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.3 t -96.9 -36.87 10.43 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.51 0.724 . . . . 0.0 111.998 -175.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -143.12 154.7 44.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.687 1.595 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . 0.418 ' HG ' HG22 ' B' ' 44' ' ' VAL . 39.6 t -160.72 114.31 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.688 1.595 . . . . 0.0 110.002 -174.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -118.64 166.05 13.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.052 1.741 . . . . 0.0 111.465 171.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 tt -156.99 128.49 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.93 2.092 . . . . 0.0 111.453 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -122.81 111.06 16.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.087 0.955 . . . . 0.0 111.637 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.54 -34.35 75.4 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.97 -50.14 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.15 0.886 . . . . 0.0 111.473 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.1 p -78.45 -17.64 56.05 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m120 79.32 17.87 0.82 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.812 2.445 . . . . 0.0 113.026 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.73 147.99 24.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.268 1.027 . . . . 0.0 112.837 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 73.8 m -108.7 140.66 41.79 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.117 1.367 . . . . 0.0 109.722 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -122.78 96.79 5.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -173.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . 0.418 HG22 ' HG ' ' B' ' 33' ' ' CYS . 13.7 t -125.47 136.61 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.031 1.332 . . . . 0.0 110.384 -164.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -129.04 117.48 20.96 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -166.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -128.4 -157.2 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.745 0.783 . . . . 0.0 112.294 -165.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -178.73 163.23 1.43 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.051 2.94 . . . . 0.0 112.51 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.84 -6.67 1.33 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -166.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.25 -13.46 62.0 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.371 1.068 . . . . 0.0 112.79 165.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -151.86 171.86 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.216 2.206 . . . . 0.0 110.797 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -130.31 159.4 37.05 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.682 1.593 . . . . 0.0 112.359 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.14 -16.49 64.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.95 -38.24 82.57 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.834 1.254 . . . . 0.0 111.447 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -67.01 -44.02 81.39 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.004 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.44 -46.63 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 119.672 1.124 . . . . 0.0 110.486 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.7 -45.02 66.7 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -77.09 -18.78 57.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.27 1.828 . . . . 0.0 111.754 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mm -80.46 -46.31 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.09 1.356 . . . . 0.0 110.4 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -60.24 -34.83 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.291 0.496 . . . . 0.0 110.329 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.52 -36.78 57.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.333 -0.841 . . . . 0.0 113.047 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -70.19 -20.39 63.12 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.486 1.494 . . . . 0.0 113.763 171.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -70.15 -16.28 63.07 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.191 -0.943 . . . . 0.0 112.657 166.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 20.07 15.17 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.731 1.634 . . . . 0.0 115.078 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -108.4 -155.95 0.57 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.63 1.172 . . . . 0.0 110.404 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -160.17 142.94 13.47 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.641 1.577 . . . . 0.0 108.706 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.45 165.28 21.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -161.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.73 140.29 16.9 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.042 2.137 . . . . 0.0 108.585 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.74 125.23 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.499 0.72 . . . . 0.0 111.154 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.29 -50.3 4.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.456 1.902 . . . . 0.0 110.226 -165.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -151.62 141.38 21.87 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 125.73 1.612 . . . . 0.0 110.49 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -78.35 55.92 1.64 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.111 1.765 . . . . 0.0 110.202 160.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.251 1.162 0 C-N-CA 129.465 3.106 . . . . 0.0 112.886 -175.348 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.08 160.66 39.12 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.519 1.527 . . . . 0.0 111.005 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -86.94 58.05 4.85 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.927 1.346 . . . . 0.0 111.916 -175.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.25 128.24 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.587 1.955 . . . . 0.0 110.533 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -103.64 159.74 15.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.587 1.155 . . . . 0.0 111.077 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -115.77 133.83 55.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.338 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -128.95 146.55 50.93 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.548 1.539 . . . . 0.0 111.074 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -132.68 129.13 38.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.904 0.882 . . . . 0.0 110.082 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -123.53 141.8 51.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.981 1.312 . . . . 0.0 111.051 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.12 125.16 48.74 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 108.176 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.4 t -140.67 139.39 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.393 1.077 . . . . 0.0 109.962 -163.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.9 t -68.75 118.18 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.97 0.508 . . . . 0.0 109.873 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.1 mtm -140.22 109.17 6.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.819 0.848 . . . . 0.0 110.875 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.0 -43.96 70.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.375 -176.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -142.2 176.59 8.85 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -70.37 -12.0 61.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.207 1.403 . . . . 0.0 112.902 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 -38.16 16.33 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.45 1.5 . . . . 0.0 111.452 166.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.68 -52.77 59.18 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.427 1.114 . . . . 0.0 111.371 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.9 p -65.97 -19.36 65.83 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.085 -1.009 . . . . 0.0 112.847 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.36 -36.45 44.65 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.299 0.952 . . . . 0.0 112.438 172.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.49 71.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.885 0.874 . . . . 0.0 111.34 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.99 -49.08 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.261 0.624 . . . . 0.0 110.708 173.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -52.43 -52.32 54.57 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.763 0.71 . . . . 0.0 111.609 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.64 -25.7 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -65.66 -45.76 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.505 1.048 . . . . 0.0 110.902 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.75 -35.1 62.6 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -64.77 -27.92 69.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 121.005 1.73 . . . . 0.0 113.49 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -62.93 -12.25 24.11 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.551 -1.343 . . . . 0.0 112.974 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.7 mt -106.31 18.52 21.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.605 1.962 . . . . 0.0 112.998 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -46.16 -33.42 2.32 Favored Pre-proline 0 N--CA 1.48 1.066 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 170.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -63.63 -16.07 52.51 Favored 'Trans proline' 0 C--N 1.354 0.844 0 CA-C-N 121.735 1.655 . . . . 0.0 114.206 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.72 -35.92 2.28 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.894 1.678 . . . . 0.0 114.128 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.1 t -93.57 120.78 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.185 1.794 . . . . 0.0 108.59 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.47 -20.86 14.94 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -165.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.58 135.55 8.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.546 1.539 . . . . 0.0 111.015 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -131.2 153.31 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.607 1.563 . . . . 0.0 110.448 166.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.26 114.99 6.42 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.214 1.006 . . . . 0.0 110.53 169.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.21 137.61 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.285 1.434 . . . . 0.0 110.534 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -129.93 92.32 3.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.399 1.48 . . . . 0.0 111.818 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.6 tp -54.96 -58.98 5.41 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.39 -35.95 76.95 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.748 1.158 . . . . 0.0 112.367 -170.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -91.15 5.46 48.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.802 1.241 . . . . 0.0 114.32 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 59.88 25.81 14.97 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.2 2.6 . . . . 0.0 115.387 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.96 153.68 22.72 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.787 1.235 . . . . 0.0 113.781 -172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 133.88 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.861 2.064 . . . . 0.0 109.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -113.66 132.62 55.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.02 1.728 . . . . 0.0 109.704 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 t -134.86 138.11 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.484 1.114 . . . . 0.0 111.981 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -127.03 120.45 29.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 111.792 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -163.96 160.28 21.75 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -87.86 -3.08 58.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.631 2.772 . . . . 0.0 113.618 168.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.16 153.06 77.02 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 124.363 1.065 . . . . 0.0 112.291 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.23 140.97 94.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.015 2.477 . . . . 0.0 113.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -50.9 -44.38 59.97 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.551 1.141 . . . . 0.0 111.718 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.34 -34.1 76.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.32 1.048 . . . . 0.0 113.778 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.0 -38.76 79.47 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.828 1.251 . . . . 0.0 111.04 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -66.44 -39.62 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.396 174.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.46 -48.44 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.564 1.075 . . . . 0.0 111.548 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.62 -44.66 95.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.435 0.694 . . . . 0.0 112.576 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.9 -37.51 82.48 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.992 1.269 . . . . 0.0 112.871 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.85 -52.15 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.257 0.935 . . . . 0.0 110.592 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.49 -31.44 71.42 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.958 -1.089 . . . . 0.0 112.966 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.68 -15.42 28.63 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.017 1.327 . . . . 0.0 114.523 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.5 p -63.99 -17.67 63.53 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.123 1.329 . . . . 0.0 113.945 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.84 -12.61 68.99 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.25 0.928 . . . . 0.0 114.377 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.94 174.68 10.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.859 1.264 . . . . 0.0 111.741 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.41 149.63 26.84 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.012 1.325 . . . . 0.0 112.403 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.71 122.81 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.671 1.988 . . . . 0.0 108.775 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -89.26 -34.53 16.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.51 1.524 . . . . 0.0 111.833 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -160.38 159.4 31.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 112.789 166.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.97 154.26 22.15 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.33 1.443 . . . . 0.0 112.001 166.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -155.56 152.79 29.24 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.59 120.9 42.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.262 2.225 . . . . 0.0 108.871 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.324 1.45 . . . . 0.0 113.025 -170.173 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 -160.68 -147.15 0.14 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.616 2.766 . . . . 0.0 109.21 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -156.44 161.68 40.06 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.044 2.138 . . . . 0.0 110.869 -174.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -153.16 141.85 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.919 1.288 . . . . 0.0 109.494 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.33 136.12 60.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.592 1.157 . . . . 0.0 107.936 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.28 149.44 45.7 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.191 0.996 . . . . 0.0 111.894 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.91 147.37 35.07 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.889 0.476 . . . . 0.0 110.303 166.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.01 108.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.016 1.326 . . . . 0.0 110.258 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -86.45 -23.91 25.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -163.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.78 -5.61 89.24 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 -167.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.6 ptp -81.31 147.48 29.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.431 1.092 . . . . 0.0 112.389 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -141.72 -30.0 0.6 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.7 168.02 28.42 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 122.282 1.039 . . . . 0.0 112.93 -161.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 88.4 p -71.85 22.6 0.05 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -167.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.06 -44.75 1.28 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.821 -1.174 . . . . 0.0 113.016 172.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.06 -32.91 74.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 p -58.53 -53.74 54.92 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.824 1.65 . . . . 0.0 112.599 173.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -26.02 68.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.261 0.937 . . . . 0.0 111.624 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.02 -36.49 7.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.273 1.429 . . . . 0.0 111.611 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.81 -50.12 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 119.097 -0.477 . . . . 0.0 110.083 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.92 -51.16 69.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.023 0.829 . . . . 0.0 111.456 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.8 m -48.96 -44.9 41.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.978 1.311 . . . . 0.0 112.713 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -90.65 -41.42 11.33 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.63 -37.5 62.79 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.138 1.335 . . . . 0.0 111.876 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.48 -23.97 53.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.671 1.123 . . . . 0.0 113.078 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.73 -4.47 59.18 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.164 1.386 . . . . 0.0 114.273 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.01 119.0 16.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.633 1.106 . . . . 0.0 109.614 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 111.63 1.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.67 -0.644 . . . . 0.0 109.489 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.42 -4.88 26.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.308 1.908 . . . . 0.0 115.268 -170.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -107.84 135.73 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.481 1.641 . . . . 0.0 109.17 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -102.93 -38.62 7.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.055 0.942 . . . . 0.0 112.97 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -158.84 153.27 24.18 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.706 1.202 . . . . 0.0 112.486 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -136.82 117.46 13.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.717 1.607 . . . . 0.0 111.819 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.58 163.94 11.98 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.025 1.73 . . . . 0.0 110.844 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -143.27 152.69 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.444 1.898 . . . . 0.0 109.352 -165.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.1 t -144.71 118.57 9.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.636 -1.29 . . . . 0.0 109.89 154.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.88 -29.69 25.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.697 1.999 . . . . 0.0 110.905 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -58.27 -26.11 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -124.4 6.65 8.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.275 1.43 . . . . 0.0 114.151 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.73 44.58 3.72 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.761 1.624 . . . . 0.0 113.674 169.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.4 159.82 39.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.07 1.348 . . . . 0.0 113.518 -170.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 58.9 m -140.07 146.76 39.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.004 1.322 . . . . 0.0 112.36 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -121.16 102.47 8.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.081 1.752 . . . . 0.0 108.991 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.15 135.85 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.689 1.596 . . . . 0.0 109.953 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.0 m -120.76 118.92 31.27 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 126.677 1.991 . . . . 0.0 106.763 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -154.6 -174.29 4.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.456 1.598 . . . . 0.0 110.997 -158.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.13 166.6 27.36 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 127.514 2.326 . . . . 0.0 113.153 -166.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -55.67 -21.62 19.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.635 1.574 . . . . 0.0 115.098 -162.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.6 -16.28 63.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.326 1.85 . . . . 0.0 114.448 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 95.4 t -124.37 149.41 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.727 1.611 . . . . 0.0 109.314 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -120.9 139.64 52.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.379 1.872 . . . . 0.0 108.922 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.07 -28.1 69.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.39 -21.06 66.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.799 1.64 . . . . 0.0 113.815 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -80.46 -41.33 24.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 110.882 168.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.4 -40.4 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.47 -0.769 . . . . 0.0 109.968 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -64.72 4.14 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.765 1.626 . . . . 0.0 114.97 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.1 -46.12 2.21 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.672 1.589 . . . . 0.0 109.181 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.13 -42.88 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.211 1.004 . . . . 0.0 112.204 174.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.18 -18.05 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.51 0.596 . . . . 0.0 112.164 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.75 -36.75 42.7 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.035 0.379 . . . . 0.0 110.335 167.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.63 -5.08 26.78 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.125 -0.984 . . . . 0.0 113.096 166.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.5 m -91.53 -9.35 44.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.634 1.174 . . . . 0.0 112.979 162.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.63 29.61 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.823 1.202 . . . . 0.0 115.301 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -118.9 -164.35 1.03 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.198 1.499 . . . . 0.0 111.02 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -164.17 140.38 6.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.74 2.816 . . . . 0.0 107.341 -172.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.2 p -167.73 169.74 11.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -149.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.9 144.22 16.23 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.071 1.748 . . . . 0.0 108.772 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -74.81 108.26 6.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 124.294 1.038 . . . . 0.0 108.219 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.51 -50.97 9.94 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -167.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -156.66 147.77 22.09 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.179 1.791 . . . . 0.0 111.634 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.29 61.39 0.64 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.764 2.426 . . . . 0.0 110.281 160.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.588 1.155 . . . . 0.0 114.099 -174.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.75 163.05 24.92 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -167.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -86.25 60.32 6.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 123.135 1.445 . . . . 0.0 110.999 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.19 129.21 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.938 1.695 . . . . 0.0 110.412 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.84 158.57 18.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.697 1.199 . . . . 0.0 111.515 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.28 118.21 33.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.506 1.122 . . . . 0.0 111.092 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.93 144.72 42.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 124.559 1.144 . . . . 0.0 110.444 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -131.61 138.29 48.74 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.535 0.734 . . . . 0.0 109.489 171.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.58 135.1 48.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.776 1.231 . . . . 0.0 109.897 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -84.97 122.56 29.39 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 157.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.58 137.46 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.878 1.271 . . . . 0.0 109.615 -170.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.3 t -69.09 104.86 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.892 1.277 . . . . 0.0 109.31 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -141.36 138.21 32.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.986 0.915 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.32 4.28 9.72 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 t -149.63 151.79 34.35 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.124 1.37 . . . . 0.0 112.779 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 m -62.44 -12.29 20.96 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.344 1.057 . . . . 0.0 112.936 165.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -27.54 63.44 Favored Glycine 0 C--N 1.343 0.948 0 C-N-CA 123.987 0.803 . . . . 0.0 112.784 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.2 -49.44 43.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.816 1.308 . . . . 0.0 110.584 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -64.83 -32.13 73.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.365 -0.834 . . . . 0.0 112.348 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.28 95.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.241 -0.912 . . . . 0.0 112.587 170.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.03 80.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.544 1.137 . . . . 0.0 111.952 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.9 t -55.77 -49.82 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.519 0.727 . . . . 0.0 110.913 173.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.0 -38.0 78.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.735 0.698 . . . . 0.0 111.593 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -66.46 -51.14 60.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 0.0 113.12 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.41 -37.74 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.617 1.098 . . . . 0.0 111.453 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.5 -22.63 50.93 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -69.35 -13.31 62.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.645 1.178 . . . . 0.0 113.146 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -79.86 -8.39 59.27 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.668 1.187 . . . . 0.0 113.75 167.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.8 mt -123.28 18.12 9.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.499 1.919 . . . . 0.0 113.154 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -59.04 -28.2 4.37 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 116.743 -1.598 . . . . 0.0 115.192 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.25 -22.5 74.24 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 CA-C-N 122.039 1.764 . . . . 0.0 113.424 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -108.2 -34.24 6.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.747 1.219 . . . . 0.0 113.503 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.84 119.82 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.38 1.472 . . . . 0.0 109.944 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.6 p -86.4 -28.24 23.69 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -155.06 140.84 18.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.638 1.175 . . . . 0.0 113.572 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -119.32 139.09 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.387 2.275 . . . . 0.0 107.824 167.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -155.11 140.13 17.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 109.735 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 mt -129.81 139.13 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.794 0.838 . . . . 0.0 110.941 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -125.36 74.52 1.39 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.323 1.849 . . . . 0.0 110.589 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.25 -36.68 43.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.887 2.075 . . . . 0.0 113.95 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.0 -21.98 65.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.319 1.048 . . . . 0.0 113.609 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -116.76 22.72 12.47 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.73 2.012 . . . . 0.0 112.565 164.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 55.52 14.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.778 2.831 . . . . 0.0 117.071 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.31 3.8 pp -104.88 151.94 23.24 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -119.92 130.05 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.214 2.205 . . . . 0.0 108.496 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.91 122.1 43.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.024 1.73 . . . . 0.0 110.201 171.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.66 139.79 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.443 1.097 . . . . 0.0 109.963 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -124.57 121.83 35.87 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 110.163 166.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -167.2 160.48 13.77 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.5 p -86.97 -5.01 59.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.953 2.501 . . . . 0.0 113.805 168.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.33 155.6 93.18 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.952 1.301 . . . . 0.0 111.966 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.94 150.04 77.92 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.724 2.95 . . . . 0.0 112.614 171.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.26 -44.77 88.52 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.558 0.743 . . . . 0.0 112.031 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.725 1.21 . . . . 0.0 113.401 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -68.74 -37.57 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.438 0.695 . . . . 0.0 111.519 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mm -69.01 -37.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.369 -0.832 . . . . 0.0 111.308 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.76 -43.05 76.35 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.058 0.844 . . . . 0.0 111.751 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.98 -41.51 70.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.871 1.268 . . . . 0.0 112.933 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.07 -36.13 83.02 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.321 -1.487 . . . . 0.0 112.28 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -45.67 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.349 0.977 . . . . 0.0 110.849 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -56.92 -44.52 82.52 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 111.868 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.85 -37.99 89.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.3 m -61.29 -33.93 74.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.313 1.445 . . . . 0.0 110.515 171.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.7 12.7 27.64 Favored Glycine 0 N--CA 1.466 0.649 0 C-N-CA 124.795 1.188 . . . . 0.0 114.731 167.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -108.19 152.09 25.05 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.817 1.308 . . . . 0.0 112.084 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.69 139.13 31.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.342 -0.849 . . . . 0.0 111.862 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.55 132.73 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 109.26 167.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -80.18 -58.69 3.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.16 0.584 . . . . 0.0 110.113 167.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -161.2 147.45 14.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.849 1.26 . . . . 0.0 111.69 165.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.06 170.93 25.75 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 125.326 1.441 . . . . 0.0 112.924 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -168.52 160.79 11.26 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.746 1.219 . . . . 0.0 113.444 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.45 142.25 33.13 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 167.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.015 1.726 . . . . 0.0 112.806 -176.063 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.269 0.556 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -112.2 122.92 49.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 129.809 3.244 . . . . 0.0 106.509 -176.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.43 139.13 57.85 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.288 1.435 . . . . 0.0 110.572 166.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.81 139.91 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.807 1.243 . . . . 0.0 107.747 155.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.9 130.47 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 171.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.36 145.47 39.05 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.781 0.832 . . . . 0.0 111.374 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.86 141.81 44.19 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.772 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -132.24 102.03 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.64 -21.74 55.06 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -157.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.49 70.71 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.095 1.331 . . . . 0.0 116.188 -172.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ptm -80.02 176.17 9.98 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.154 1.477 . . . . 0.0 112.15 171.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 -37.55 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.59 1.156 . . . . 0.0 112.424 163.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -121.06 -178.15 3.68 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 123.002 1.382 . . . . 0.0 114.073 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 46.7 m -77.95 6.12 8.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.221 1.408 . . . . 0.0 114.233 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.73 -50.72 3.22 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.637 1.108 . . . . 0.0 112.746 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p -66.08 -31.63 72.62 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.797 1.18 . . . . 0.0 113.212 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.55 -42.81 99.77 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.782 2.433 . . . . 0.0 114.059 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -13.22 62.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.343 1.428 . . . . 0.0 113.427 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -47.69 -45.15 28.15 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.689 1.595 . . . . 0.0 110.632 162.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.89 -57.52 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.724 1.209 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.99 -47.81 71.04 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.392 0.996 . . . . 0.0 113.283 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -48.61 -49.37 37.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.896 1.278 . . . . 0.0 112.091 171.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.35 -41.99 19.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.06 -43.89 64.19 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.872 1.269 . . . . 0.0 111.446 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -56.09 -30.98 62.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.827 1.194 . . . . 0.0 113.22 172.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.32 31.22 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.89 17.59 0.31 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.269 19.0 ptpt 43.67 45.14 5.76 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.715 2.006 . . . . 0.0 114.623 176.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.91 11.09 0.03 OUTLIER Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.797 1.665 . . . . 0.0 116.565 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.71 130.88 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.027 1.731 . . . . 0.0 108.662 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -101.77 -19.49 15.33 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.79 120.96 2.06 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.692 1.197 . . . . 0.0 110.859 -174.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 81.3 m -112.54 131.16 55.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.082 1.353 . . . . 0.0 112.276 168.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -148.17 168.94 21.15 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.407 1.483 . . . . 0.0 110.35 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 53.5 mt -147.18 135.82 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 125.393 1.477 . . . . 0.0 110.102 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.4 m -94.44 108.91 20.82 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.27 -39.75 53.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -162.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.14 -41.5 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.8 0.84 . . . . 0.0 110.943 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.04 -5.7 57.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.394 1.478 . . . . 0.0 114.246 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.3 36.39 3.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.142 1.777 . . . . 0.0 113.46 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -134.98 137.48 43.08 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.674 1.19 . . . . 0.0 111.578 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 79.2 m -102.9 139.46 38.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.976 1.31 . . . . 0.0 111.294 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -112.14 96.57 6.11 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.104 2.162 . . . . 0.0 106.658 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -124.55 129.84 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 0.0 111.434 -175.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -120.3 133.48 55.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 109.421 -172.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -150.65 134.09 16.37 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 123.311 1.529 . . . . 0.0 110.349 -160.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -70.71 159.71 33.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.597 165.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -6.5 4.98 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.292 1.437 . . . . 0.0 114.348 -172.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.52 -29.79 59.51 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.381 1.872 . . . . 0.0 112.389 163.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.64 159.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.966 2.107 . . . . 0.0 108.363 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.9 p -132.49 150.51 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.033 1.333 . . . . 0.0 110.884 173.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.13 69.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.139 0.576 . . . . 0.0 111.743 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.75 -23.54 64.34 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -75.49 -42.76 52.07 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.714 -0.616 . . . . 0.0 110.771 168.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.06 -43.37 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.787 -0.571 . . . . 0.0 109.7 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.91 -0.74 0.52 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 127.373 2.269 . . . . 0.0 115.093 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -119.47 -46.15 2.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.625 1.97 . . . . 0.0 109.302 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -55.02 -45.04 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.86 1.664 . . . . 0.0 112.406 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.63 -23.43 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.161 0.984 . . . . 0.0 111.977 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.61 -28.73 26.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.203 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -20.55 59.97 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 167.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.87 -11.82 60.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 113.082 163.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.7 29.68 25.96 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 118.414 -1.215 . . . . 0.0 115.547 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -116.52 -161.28 0.79 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.538 1.669 . . . . 0.0 110.651 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.44 144.76 20.99 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.283 2.233 . . . . 0.0 108.471 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.4 p -148.07 167.9 23.76 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -167.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.56 131.91 20.79 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.515 1.926 . . . . 0.0 106.405 163.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mm -72.0 108.15 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.73 -45.89 13.85 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -161.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -164.13 144.05 7.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.808 1.643 . . . . 0.0 111.896 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.29 30.89 0.1 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.306 2.242 . . . . 0.0 112.677 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 126.23 1.812 . . . . 0.0 114.446 -171.9 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 110.739 -0.097 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.11 33.26 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -90.3 166.79 13.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.751 0.82 . . . . 0.0 112.093 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.258 61.1 mt 45.27 95.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 129.513 3.125 . . . . 0.0 114.954 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -82.93 154.22 24.67 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.577 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -106.4 127.61 53.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.382 1.073 . . . . 0.0 109.729 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.66 147.73 46.1 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.986 1.314 . . . . 0.0 109.996 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -142.98 137.9 29.68 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.478 0.711 . . . . 0.0 109.737 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.34 138.71 41.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.305 1.442 . . . . 0.0 110.531 -172.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -97.87 112.0 24.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.256 1.023 . . . . 0.0 108.798 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.41 135.94 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.535 1.534 . . . . 0.0 108.705 -163.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.85 112.72 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.6 mtm -134.72 78.73 1.76 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.68 1.192 . . . . 0.0 109.819 -175.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.451 1.5 . . . . 0.0 112.614 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.7 -158.61 0.68 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.526 2.331 . . . . 0.0 112.816 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -121.72 -22.77 5.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.406 -1.434 . . . . 0.0 114.837 -165.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.53 -12.84 64.15 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.7 1.143 . . . . 0.0 113.828 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.3 -50.48 67.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.327 1.851 . . . . 0.0 112.186 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p -59.54 -39.62 84.54 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.002 0.921 . . . . 0.0 112.018 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.03 91.59 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.464 -0.631 . . . . 0.0 112.085 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 -53.9 14.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.817 1.247 . . . . 0.0 112.431 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.23 -38.21 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 118.767 0.712 . . . . 0.0 111.266 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.31 -44.64 95.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.525 0.73 . . . . 0.0 111.428 171.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.77 -44.47 96.09 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.069 -1.019 . . . . 0.0 112.717 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.76 -38.98 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 119.58 1.082 . . . . 0.0 111.587 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.86 -30.87 61.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.5 m -67.7 -12.74 61.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.852 1.261 . . . . 0.0 112.82 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -50.92 -20.88 1.47 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.7 1.2 . . . . 0.0 113.327 161.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 mt -116.92 25.38 10.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.502 1.921 . . . . 0.0 113.449 -169.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -50.14 -32.05 5.31 Favored Pre-proline 0 N--CA 1.479 0.999 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.61 -14.05 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 CA-C-N 121.93 1.725 . . . . 0.0 114.544 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -126.45 -27.44 3.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.922 1.289 . . . . 0.0 113.895 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -90.86 121.47 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.117 1.767 . . . . 0.0 110.004 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -79.25 -45.97 18.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.56 1.144 . . . . 0.0 112.135 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -158.15 147.61 19.63 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.205 1.402 . . . . 0.0 112.207 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -121.64 143.09 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.609 1.964 . . . . 0.0 107.88 164.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -142.29 134.46 27.54 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.229 1.012 . . . . 0.0 112.185 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mm -105.5 133.62 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.178 1.391 . . . . 0.0 112.56 -170.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -124.83 73.04 1.25 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.403 1.881 . . . . 0.0 109.633 171.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.66 -45.02 90.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.975 1.71 . . . . 0.0 114.632 -164.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -72.14 -26.61 62.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.896 0.878 . . . . 0.0 111.988 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -92.81 6.01 49.15 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.933 1.693 . . . . 0.0 112.941 167.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 60.66 21.58 11.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.827 2.451 . . . . 0.0 114.717 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.31 144.73 28.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.019 1.328 . . . . 0.0 112.622 -172.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -127.85 132.76 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.329 1.852 . . . . 0.0 108.755 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.7 140.9 44.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.729 1.611 . . . . 0.0 110.579 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.7 t -135.03 144.53 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.08 1.352 . . . . 0.0 110.154 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.72 117.81 22.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.105 1.762 . . . . 0.0 110.084 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.0 154.83 13.3 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.065 -1.022 . . . . 0.0 112.993 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 m -89.08 2.9 53.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.591 1.957 . . . . 0.0 112.009 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.35 167.24 37.71 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.009 1.724 . . . . 0.0 113.46 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.12 145.66 85.16 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.576 2.85 . . . . 0.0 111.944 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.58 -45.9 90.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.764 0.826 . . . . 0.0 112.518 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.71 -35.78 75.22 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.516 1.126 . . . . 0.0 112.784 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.12 -31.49 72.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 122.122 -0.361 . . . . 0.0 111.354 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.97 -39.94 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.064 -1.022 . . . . 0.0 111.295 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.1 mt -58.23 -45.87 86.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.254 0.934 . . . . 0.0 111.406 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.99 -38.63 89.33 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.488 1.515 . . . . 0.0 113.142 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.52 -37.7 71.16 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.715 0.689 . . . . 0.0 112.34 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.87 -53.35 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.621 0.768 . . . . 0.0 110.056 171.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -59.45 -34.35 72.41 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.591 -0.693 . . . . 0.0 112.661 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -59.71 -24.08 63.69 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.1 p -66.0 -38.29 88.1 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.4 1.455 . . . . 0.0 112.74 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -6.45 77.79 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.535 1.064 . . . . 0.0 113.791 -171.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -73.65 152.24 40.55 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.363 1.082 . . . . 0.0 110.028 165.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.98 147.66 23.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.813 0.845 . . . . 0.0 112.096 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.55 129.17 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.323 1.449 . . . . 0.0 110.776 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.43 -48.7 8.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.024 1.329 . . . . 0.0 112.34 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -166.45 162.81 17.15 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.482 1.113 . . . . 0.0 111.127 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.71 167.97 26.5 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 124.061 0.839 . . . . 0.0 113.752 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -145.05 155.21 43.22 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.6 114.99 29.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.212 2.205 . . . . 0.0 106.837 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.446 -167.66 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.101 0.477 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.4 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 49.4 ttt180 -117.22 -175.75 2.86 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 127.732 2.413 . . . . 0.0 108.268 164.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.4 ' H ' ' HG2' ' B' ' 2' ' ' ARG . 61.8 mm-40 -140.35 156.63 46.35 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.765 3.226 . . . . 0.0 111.172 -167.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.59 138.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.67 2.388 . . . . 0.0 110.008 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 122.25 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.321 1.048 . . . . 0.0 109.253 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.61 146.86 35.4 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.631 1.572 . . . . 0.0 110.141 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.13 151.04 25.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.441 158.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -133.38 104.41 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.79 1.636 . . . . 0.0 107.956 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.78 -17.04 32.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.041 1.336 . . . . 0.0 112.741 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 -4.1 73.32 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.989 1.28 . . . . 0.0 115.273 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.5 ptp -86.5 161.55 18.52 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.66 1.23 . . . . 0.0 112.474 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -162.78 -43.81 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.196 1.399 . . . . 0.0 113.21 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.51 -90.6 0.09 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.044 1.338 . . . . 0.0 114.401 -163.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 13.1 p -165.51 -81.97 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.068 1.347 . . . . 0.0 112.475 -168.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -14.53 63.06 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.806 1.242 . . . . 0.0 114.238 -167.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.7 m -55.68 -29.42 59.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.27 1.428 . . . . 0.0 114.621 163.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.1 p -64.57 -50.38 67.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 119.397 0.999 . . . . 0.0 110.875 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -28.25 69.04 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 118.089 -0.957 . . . . 0.0 111.754 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.4 m -55.16 -34.54 63.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.273 0.942 . . . . 0.0 110.896 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.84 -49.75 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.621 1.1 . . . . 0.0 110.693 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -65.18 -49.27 70.42 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.973 1.261 . . . . 0.0 112.067 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.6 m -50.43 -33.2 20.06 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.39 1.076 . . . . 0.0 113.5 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -86.84 -49.67 7.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.972 1.26 . . . . 0.0 113.994 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.64 -37.81 82.95 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.287 0.949 . . . . 0.0 111.558 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -55.39 -27.09 45.36 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.661 1.118 . . . . 0.0 113.183 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.41 -0.24 55.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.726 1.61 . . . . 0.0 114.551 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -81.43 98.84 8.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 158.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.26 111.95 1.23 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.982 -0.449 . . . . 0.0 110.133 -173.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.3 -18.02 8.38 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.29 1.424 . . . . 0.0 114.775 -169.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.34 124.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.613 2.206 . . . . 0.0 108.862 166.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -40.21 9.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.003 1.321 . . . . 0.0 111.304 -169.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -163.81 134.41 4.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.564 1.146 . . . . 0.0 111.576 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.46 118.08 33.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.44 1.496 . . . . 0.0 111.348 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -110.1 148.33 31.94 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.309 1.844 . . . . 0.0 110.236 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -145.67 142.78 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.266 1.826 . . . . 0.0 109.973 -167.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 118.66 21.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.708 1.203 . . . . 0.0 110.448 163.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -78.02 -38.09 45.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.598 1.959 . . . . 0.0 111.336 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.22 -32.78 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.0 0.818 . . . . 0.0 112.08 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -106.86 -4.81 18.82 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.462 1.905 . . . . 0.0 113.598 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 68.57 39.93 2.0 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.444 1.897 . . . . 0.0 113.345 170.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -139.51 164.87 28.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.863 1.665 . . . . 0.0 112.676 -170.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -153.44 148.07 26.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.905 0.882 . . . . 0.0 113.045 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -121.22 109.83 15.43 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.037 1.735 . . . . 0.0 107.968 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.53 128.64 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.556 1.542 . . . . 0.0 110.435 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 53.6 m -109.55 132.92 53.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.477 1.911 . . . . 0.0 106.606 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.22 127.14 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 123.665 1.698 . . . . 0.0 113.261 -163.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -68.31 163.99 21.74 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.728 2.411 . . . . 0.0 113.397 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.16 -4.18 9.57 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -169.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.77 -10.27 59.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.511 1.524 . . . . 0.0 113.226 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.4 155.18 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.737 2.015 . . . . 0.0 109.968 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.6 p -124.22 154.5 40.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.004 1.322 . . . . 0.0 112.388 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.78 67.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.38 -18.48 55.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.137 0.88 . . . . 0.0 112.724 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -72.03 -50.49 28.04 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.17 164.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.95 -51.55 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.845 0.858 . . . . 0.0 110.619 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.89 20.15 0.08 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -135.97 -37.27 0.73 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.328 1.851 . . . . 0.0 110.254 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mm -61.25 -42.92 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.543 1.137 . . . . 0.0 111.623 168.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.3 -24.59 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.045 0.839 . . . . 0.0 111.015 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -83.76 -32.41 25.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.17 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.21 -14.76 60.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.691 1.196 . . . . 0.0 112.961 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -74.12 -11.91 60.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.99 0.916 . . . . 0.0 112.445 161.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 11.07 59.82 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.714 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.16 -152.24 0.28 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.99 1.395 . . . . 0.0 110.657 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.95 149.43 28.21 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 127.207 2.203 . . . . 0.0 105.665 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -156.58 176.91 12.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.533 0.682 . . . . 0.0 112.74 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -163.3 140.52 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.641 1.176 . . . . 0.0 108.455 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 99.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.1 -48.32 11.51 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.737 1.215 . . . . 0.0 108.443 -165.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -152.56 166.58 31.61 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.661 1.585 . . . . 0.0 110.113 165.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -77.41 6.69 6.47 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 126.864 2.066 . . . . 0.0 115.496 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.253 1.285 0 C-N-CA 131.537 3.935 . . . . 0.0 113.273 -179.578 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.05 25.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.341 1.456 . . . . 0.0 111.887 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.39 129.36 41.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.351 1.461 . . . . 0.0 110.931 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.71 120.61 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -91.68 162.67 14.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.279 1.832 . . . . 0.0 110.856 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.38 131.71 45.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.628 1.571 . . . . 0.0 110.441 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -136.48 155.63 49.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.052 1.341 . . . . 0.0 112.137 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -131.11 155.51 46.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.637 1.175 . . . . 0.0 110.554 164.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 148.39 48.37 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.812 2.045 . . . . 0.0 109.24 170.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -111.77 127.79 55.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.377 166.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.72 147.23 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.825 1.65 . . . . 0.0 109.208 -165.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -72.05 85.93 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.33 0.652 . . . . 0.0 109.276 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.6 tpp -92.96 112.23 24.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.101 1.36 . . . . 0.0 109.925 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 p -96.65 -24.17 16.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -176.72 167.74 2.6 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.121 1.769 . . . . 0.0 112.59 -162.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.59 -25.18 62.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.641 1.176 . . . . 0.0 113.312 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.71 -26.04 68.28 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.095 0.855 . . . . 0.0 113.512 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -68.23 -57.43 6.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.668 1.187 . . . . 0.0 109.37 168.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -52.05 -42.64 63.3 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.703 1.201 . . . . 0.0 112.407 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.03 68.87 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-O 118.909 -0.939 . . . . 0.0 113.273 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.36 65.99 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.019 0.91 . . . . 0.0 111.066 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.59 -51.09 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.616 0.767 . . . . 0.0 110.294 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.27 -44.7 84.18 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.72 -0.613 . . . . 0.0 112.171 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -66.42 -26.63 67.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.87 -41.81 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 120.846 -1.159 . . . . 0.0 111.457 168.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.04 -27.91 43.18 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -61.53 -18.02 57.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 121.012 1.733 . . . . 0.0 113.619 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -61.05 -17.7 53.82 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.843 1.257 . . . . 0.0 113.869 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.34 13.42 14.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.257 1.423 . . . . 0.0 114.075 -168.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.59 -24.39 1.42 Allowed Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -62.96 -21.0 72.92 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 CA-C-N 121.968 1.739 . . . . 0.0 114.009 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -119.98 -32.78 4.12 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.877 1.671 . . . . 0.0 113.179 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -87.32 121.16 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.81 1.644 . . . . 0.0 109.333 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.7 p -102.46 -22.48 14.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -153.16 143.79 22.68 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.63 1.172 . . . . 0.0 112.016 170.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.41 149.04 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.664 1.985 . . . . 0.0 108.31 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -150.84 117.0 5.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.464 1.106 . . . . 0.0 111.375 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.58 130.15 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.533 1.133 . . . . 0.0 110.958 -170.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -109.09 157.76 18.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.001 0.92 . . . . 0.0 111.769 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -106.86 -58.26 1.96 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.066 0.946 . . . . 0.0 109.473 173.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.68 -39.37 80.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.095 1.358 . . . . 0.0 112.371 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -91.47 1.01 57.43 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.22 4.04 0.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.733 2.413 . . . . 0.0 115.465 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.277 0.8 OUTLIER -102.21 150.36 23.37 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -121.07 134.67 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 127.938 2.495 . . . . 0.0 107.687 173.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.14 130.98 53.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.203 1.801 . . . . 0.0 110.028 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.46 142.92 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.725 0.81 . . . . 0.0 112.099 -168.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -122.01 130.85 53.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.374 1.869 . . . . 0.0 111.222 162.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.5 t -166.25 153.48 9.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 111.806 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 p -74.14 -10.54 59.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.233 1.813 . . . . 0.0 113.475 169.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.98 152.36 79.67 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.655 1.182 . . . . 0.0 113.768 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.53 153.15 60.44 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.716 2.944 . . . . 0.0 111.727 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.76 -39.24 76.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -169.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.17 -38.59 80.14 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.365 1.066 . . . . 0.0 113.266 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.0 -41.56 83.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.074 0.55 . . . . 0.0 111.421 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mm -70.33 -40.95 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.503 0.721 . . . . 0.0 110.932 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.24 -47.61 78.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.112 0.565 . . . . 0.0 110.665 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -71.66 -23.15 61.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.16 -53.46 37.29 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.804 1.184 . . . . 0.0 110.757 161.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.66 -39.08 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.389 0.995 . . . . 0.0 112.305 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -69.17 -25.95 64.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.469 1.108 . . . . 0.0 112.136 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -79.33 -25.51 42.31 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.972 -1.08 . . . . 0.0 113.907 167.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.8 m -73.39 -29.69 62.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.172 1.789 . . . . 0.0 114.312 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.44 -7.94 63.17 Favored Glycine 0 N--CA 1.476 1.347 0 N-CA-C 117.126 1.611 . . . . 0.0 117.126 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 149.65 27.14 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.18 1.49 . . . . 0.0 110.491 167.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.95 138.11 31.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.386 0.613 . . . . 0.0 111.638 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.03 144.07 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.921 2.088 . . . . 0.0 109.667 -170.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -115.29 -38.53 3.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.903 1.281 . . . . 0.0 114.138 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -169.32 -177.21 2.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.544 1.138 . . . . 0.0 111.279 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.34 158.52 13.34 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.136 1.351 . . . . 0.0 113.188 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.54 159.33 39.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.23 145.57 24.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.067 1.347 . . . . 0.0 109.989 163.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.254 1.299 0 C-N-CA 124.697 1.199 . . . . 0.0 113.266 -178.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 121.052 0.453 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -94.07 94.72 8.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.04 2.136 . . . . 0.0 110.416 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.56 132.04 52.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.769 1.228 . . . . 0.0 109.812 164.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.63 151.51 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.8 1.64 . . . . 0.0 110.559 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.98 130.74 66.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.2 1.0 . . . . 0.0 109.231 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.34 145.48 46.13 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.208 1.403 . . . . 0.0 110.076 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.49 140.13 31.69 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.035 163.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.8 t -124.59 118.58 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 126.054 1.742 . . . . 0.0 108.431 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -84.77 28.81 0.65 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.92 1.688 . . . . 0.0 114.156 -166.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.09 29.37 0.36 Allowed Glycine 0 N--CA 1.475 1.247 0 O-C-N 120.74 -1.225 . . . . 0.0 116.017 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mmm -77.13 83.84 3.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.881 1.272 . . . . 0.0 112.24 -171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -80.89 -61.47 1.95 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.762 1.625 . . . . 0.0 113.723 -171.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -153.93 -178.74 7.27 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.915 1.286 . . . . 0.0 112.376 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 60.5 m -69.17 -41.26 77.45 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.63 -1.294 . . . . 0.0 112.499 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.19 68.56 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.599 0.76 . . . . 0.0 112.505 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.6 m -71.26 -45.4 63.26 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.362 1.065 . . . . 0.0 113.342 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.4 p -95.29 -34.73 12.07 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 116.288 -1.815 . . . . 0.0 115.582 -157.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -18.38 64.44 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.547 2.43 . . . . 0.0 112.275 174.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -50.04 -38.06 36.03 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.579 1.152 . . . . 0.0 111.616 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.45 -50.69 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -48.72 80.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.343 -0.836 . . . . 0.0 112.291 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.5 m -54.5 -33.88 60.67 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 120.156 1.343 . . . . 0.0 113.53 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -89.02 -36.3 15.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.28 -42.13 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.408 1.003 . . . . 0.0 111.651 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.15 -19.96 36.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.688 0.795 . . . . 0.0 112.658 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.5 -12.77 60.03 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.74 123.86 28.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.483 1.038 . . . . 0.0 110.965 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.43 103.37 1.02 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.352 1.461 . . . . 0.0 110.49 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.56 -2.65 18.05 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.619 1.581 . . . . 0.0 115.992 -173.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.03 136.56 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 120.236 2.018 . . . . 0.0 109.481 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -103.24 -35.58 8.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 0.0 112.403 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -157.48 138.59 13.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.788 1.635 . . . . 0.0 110.635 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 p -137.25 146.17 44.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.358 1.463 . . . . 0.0 111.283 172.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -168.66 -179.46 3.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.211 1.404 . . . . 0.0 112.503 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.36 167.03 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 126.522 1.929 . . . . 0.0 112.95 -173.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 71.6 m -153.38 124.26 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.124 1.37 . . . . 0.0 111.033 171.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.53 -39.15 67.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.1 1.36 . . . . 0.0 114.033 -172.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -69.63 -27.34 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.593 1.088 . . . . 0.0 112.687 -168.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -111.15 5.78 20.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.853 1.661 . . . . 0.0 112.693 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 62.37 38.81 12.75 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.868 1.667 . . . . 0.0 112.987 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.41 157.06 30.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -166.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 t -114.07 135.01 54.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.964 2.106 . . . . 0.0 109.327 167.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -118.09 110.6 17.83 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.62 1.968 . . . . 0.0 105.939 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.72 144.21 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.744 0.818 . . . . 0.0 112.712 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -136.16 138.12 41.64 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.32 1.848 . . . . 0.0 107.495 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -156.47 145.46 20.32 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.92 1.819 . . . . 0.0 111.059 -167.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.55 165.66 21.89 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.963 2.505 . . . . 0.0 113.556 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -60.35 -9.46 3.56 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.21 2.04 48.52 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.886 1.274 . . . . 0.0 113.113 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.86 161.71 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.987 2.115 . . . . 0.0 109.832 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -146.34 146.94 30.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.736 1.614 . . . . 0.0 111.745 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.05 -25.67 65.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.659 1.184 . . . . 0.0 113.614 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.43 -20.82 62.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.235 1.014 . . . . 0.0 112.882 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -72.94 -42.87 62.98 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.62 -0.675 . . . . 0.0 110.698 165.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.8 -36.99 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.228 -0.92 . . . . 0.0 110.497 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -58.87 -15.67 13.72 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -99.79 -41.72 7.14 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.067 1.747 . . . . 0.0 109.192 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 mm -58.86 -47.05 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.409 1.484 . . . . 0.0 112.732 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.33 -26.85 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 118.912 0.778 . . . . 0.0 110.714 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.22 -32.28 55.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.023 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.24 -31.81 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.769 1.168 . . . . 0.0 112.716 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.8 m -70.79 -13.91 62.23 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.964 1.306 . . . . 0.0 113.68 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.98 26.3 19.66 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.19 0.9 . . . . 0.0 114.539 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -127.72 -154.98 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.374 1.47 . . . . 0.0 108.967 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -163.64 148.71 10.88 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.831 1.652 . . . . 0.0 108.427 173.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.8 p -138.95 165.99 25.65 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -137.63 139.26 40.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.643 1.977 . . . . 0.0 107.783 168.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 13.4 tt -72.97 111.74 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.45 -35.27 19.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.188 0.995 . . . . 0.0 109.2 -164.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -170.62 162.99 8.12 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.99 1.716 . . . . 0.0 111.378 167.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.61 27.66 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.259 2.624 . . . . 0.0 114.146 168.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . 0.253 54.2 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 129.556 3.142 . . . . 0.0 114.489 -172.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.33 165.13 25.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.114 1.365 . . . . 0.0 113.733 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.52 165.47 14.27 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.846 1.658 . . . . 0.0 112.087 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.5 mt 63.28 135.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 129.638 3.175 . . . . 0.0 114.935 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.8 162.86 15.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 111.4 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' CE1' HE22 ' A' ' 8' ' ' GLN . 25.8 t60 -150.34 133.61 16.32 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.499 -1.376 . . . . 0.0 113.569 -169.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -145.7 158.14 43.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.915 1.286 . . . . 0.0 112.975 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.411 HE22 ' CE1' ' A' ' 6' ' ' HIS . 13.3 mp0 -128.73 130.02 46.53 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.514 1.526 . . . . 0.0 110.66 179.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -121.91 140.61 52.21 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.106 1.362 . . . . 0.0 111.56 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -91.42 129.86 37.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.939 1.296 . . . . 0.0 111.339 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 t -118.35 141.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.043 1.737 . . . . 0.0 109.997 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.19 110.47 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.201 1.401 . . . . 0.0 107.696 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.4 mmt -79.79 127.93 32.82 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.136 0.575 . . . . 0.0 110.385 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -129.98 -84.73 0.54 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.524 2.33 . . . . 0.0 107.15 -171.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.95 -170.93 2.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.377 1.871 . . . . 0.0 112.518 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 m -70.97 -8.29 52.16 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 166.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.91 -50.73 4.79 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 125.592 1.568 . . . . 0.0 112.749 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -61.21 -40.56 94.44 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.8 1.3 . . . . 0.0 112.496 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -68.33 -25.39 65.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.68 0.792 . . . . 0.0 113.131 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -43.45 56.34 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 121.273 -0.892 . . . . 0.0 111.707 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.57 66.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.57 1.148 . . . . 0.0 112.657 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 p -62.08 -40.24 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.721 0.691 . . . . 0.0 111.73 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.18 -40.41 81.42 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.526 -0.734 . . . . 0.0 111.397 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.83 -34.85 77.53 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.506 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.72 -48.93 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 119.799 1.181 . . . . 0.0 111.05 172.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.57 -24.32 49.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.698 0.799 . . . . 0.0 113.11 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 m -74.1 -10.75 59.93 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.44 1.496 . . . . 0.0 112.535 173.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -70.41 -18.59 63.02 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.626 -1.296 . . . . 0.0 113.042 167.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 mt -114.4 30.77 7.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.57 1.548 . . . . 0.0 113.236 -164.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -53.25 -42.84 93.33 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 -164.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.86 -6.51 18.22 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 CA-C-N 122.205 1.823 . . . . 0.0 112.718 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -117.51 -26.34 6.67 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.371 1.068 . . . . 0.0 112.87 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -109.11 113.61 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.391 1.877 . . . . 0.0 108.832 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -88.87 -29.3 19.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -154.03 140.5 18.77 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.262 1.025 . . . . 0.0 113.132 -175.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -129.81 141.6 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 127.173 2.189 . . . . 0.0 107.756 172.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.91 142.96 22.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.196 0.998 . . . . 0.0 110.336 165.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -112.61 145.35 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.143 1.377 . . . . 0.0 110.859 -173.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m -129.85 86.58 2.42 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.372 1.469 . . . . 0.0 111.112 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.77 -45.35 78.15 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -68.89 -42.73 76.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.422 1.01 . . . . 0.0 111.818 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.45 -15.62 62.34 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.169 1.388 . . . . 0.0 113.271 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 70.63 22.9 4.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.616 2.366 . . . . 0.0 112.799 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.3 mt -112.53 161.32 16.89 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.619 1.568 . . . . 0.0 113.814 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.21 137.25 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.154 2.182 . . . . 0.0 108.56 165.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -103.25 133.05 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.929 1.692 . . . . 0.0 109.815 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.14 138.59 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.473 1.109 . . . . 0.0 110.653 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.16 136.75 52.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.039 1.736 . . . . 0.0 110.913 169.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -171.52 156.86 4.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.942 0.897 . . . . 0.0 112.037 -166.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.9 p -86.67 -7.79 58.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.474 1.51 . . . . 0.0 113.052 168.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.29 147.05 78.92 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.842 1.257 . . . . 0.0 111.657 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.82 155.02 30.55 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.299 2.666 . . . . 0.0 111.868 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.15 -40.08 92.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.444 0.698 . . . . 0.0 112.584 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.03 -10.81 24.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.729 1.611 . . . . 0.0 113.993 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.27 -43.44 6.6 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.511 1.124 . . . . 0.0 111.703 167.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.48 -35.71 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -51.45 -52.5 45.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.082 1.353 . . . . 0.0 111.604 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -74.03 -11.59 60.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.767 1.627 . . . . 0.0 114.154 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -85.37 -44.26 12.95 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.21 1.004 . . . . 0.0 112.805 162.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 tt -80.26 -38.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.375 0.988 . . . . 0.0 113.396 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.92 -26.98 65.36 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.113 1.324 . . . . 0.0 112.461 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -61.21 -3.79 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 p -54.82 -60.68 3.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.621 1.568 . . . . 0.0 112.229 164.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.96 6.74 55.9 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 124.636 1.112 . . . . 0.0 115.876 -176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -162.87 152.04 15.09 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.691 1.246 . . . . 0.0 113.196 167.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.316 81.8 mt-10 71.46 17.63 5.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 152.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 t -112.52 134.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.067 1.347 . . . . 0.0 108.598 161.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -102.57 -45.04 5.16 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -173.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -172.56 169.28 5.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.389 1.075 . . . . 0.0 111.176 -167.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.47 179.23 28.28 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 124.296 0.951 . . . . 0.0 114.023 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -176.54 165.03 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.403 1.881 . . . . 0.0 113.616 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -92.21 133.53 35.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.81 1.244 . . . . 0.0 110.023 161.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.675 1.59 . . . . 0.0 113.324 -176.44 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.55 98.91 1.54 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 126.24 1.816 . . . . 0.0 110.729 -177.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.39 166.38 16.82 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.597 2.359 . . . . 0.0 112.666 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.2 p -177.03 141.63 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 127.939 2.496 . . . . 0.0 110.233 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -116.47 136.16 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 164.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -133.58 142.94 48.38 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.668 0.787 . . . . 0.0 110.83 -179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.47 144.07 26.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.124 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.23 113.87 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 125.486 1.514 . . . . 0.0 107.803 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -78.57 -19.78 52.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.692 -0.63 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.37 -1.62 55.64 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.319 1.287 . . . . 0.0 116.319 -173.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 6.7 ptp -72.36 138.53 47.32 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.901 1.85 . . . . 0.0 112.054 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -174.71 -176.94 1.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 128.97 2.908 . . . . 0.0 108.055 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 69.29 -163.73 0.18 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.771 2.428 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -127.45 -2.16 6.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.962 2.105 . . . . 0.0 112.547 163.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.85 -39.41 5.57 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.293 1.837 . . . . 0.0 112.039 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -67.45 -33.07 74.38 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.373 1.069 . . . . 0.0 113.649 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -57.55 -45.94 84.5 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 126.234 1.814 . . . . 0.0 112.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.85 60.19 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -53.7 -33.31 55.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.271 1.028 . . . . 0.0 110.849 168.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.2 -53.31 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.866 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -55.87 -50.8 69.64 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.606 1.094 . . . . 0.0 112.843 172.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -46.21 -48.94 17.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.809 1.243 . . . . 0.0 111.64 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.83 -45.63 14.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.973 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.22 -41.48 98.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.578 1.536 . . . . 0.0 111.832 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -70.36 -1.57 10.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.03 -6.71 22.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.205 1.402 . . . . 0.0 114.334 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -81.72 3.99 23.54 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 45.98 30.81 0.97 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.888 2.475 . . . . 0.0 115.374 176.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.66 -12.66 0.16 Allowed Glycine 0 CA--C 1.541 1.665 0 C-N-CA 126.705 2.098 . . . . 0.0 117.192 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.69 143.48 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 127.12 2.168 . . . . 0.0 110.329 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -109.24 -31.39 7.59 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.654 1.182 . . . . 0.0 113.311 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -135.04 142.35 46.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.66 1.584 . . . . 0.0 111.176 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 p -160.75 119.15 2.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.814 1.246 . . . . 0.0 113.266 170.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -150.43 -174.53 4.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.169 2.188 . . . . 0.0 110.456 171.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 pt -146.17 163.24 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.509 1.924 . . . . 0.0 113.649 -164.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.3 t -134.15 121.86 22.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.818 1.247 . . . . 0.0 109.353 162.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.55 -32.32 60.38 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.556 1.143 . . . . 0.0 113.351 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.72 -38.02 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 119.846 1.203 . . . . 0.0 111.783 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.0 p -99.88 0.31 41.08 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.68 1.592 . . . . 0.0 113.0 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.423 0.2 OUTLIER 40.09 50.49 2.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.956 2.502 . . . . 0.0 115.831 -170.569 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.59 156.05 22.39 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.535 1.534 . . . . 0.0 112.978 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 60.4 m -112.59 135.78 52.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.4 1.48 . . . . 0.0 110.576 164.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -107.32 104.2 13.74 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.855 2.062 . . . . 0.0 105.996 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.02 147.74 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.571 1.548 . . . . 0.0 111.412 -169.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -151.06 135.83 17.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 109.201 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -154.45 -168.43 2.92 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.384 1.474 . . . . 0.0 110.662 -167.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.36 174.36 13.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.655 2.382 . . . . 0.0 112.496 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -56.9 -12.5 2.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.975 2.584 . . . . 0.0 117.975 -161.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.0 -7.27 33.92 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.049 1.339 . . . . 0.0 113.213 169.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 169.32 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.501 1.52 . . . . 0.0 110.612 166.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -142.26 149.5 39.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 111.641 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.31 51.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.929 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.88 -20.86 61.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.718 0.807 . . . . 0.0 113.022 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -81.68 -41.62 21.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.189 0.996 . . . . 0.0 110.512 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.47 -44.91 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 121.321 -0.862 . . . . 0.0 111.093 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -68.49 -5.55 20.05 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -97.26 -50.36 4.59 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 120.83 -1.169 . . . . 0.0 107.937 172.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 mm -54.2 -50.22 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.602 1.961 . . . . 0.0 113.617 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.31 -26.58 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 118.705 0.684 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -83.68 -24.65 31.21 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 172.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -77.46 -19.27 56.22 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.234 1.414 . . . . 0.0 113.278 170.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.49 -17.25 64.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 112.702 162.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.2 27.6 22.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.482 1.039 . . . . 0.0 113.996 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -107.62 -161.41 0.78 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.024 1.412 . . . . 0.0 110.363 168.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -162.27 141.7 9.51 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 127.477 2.311 . . . . 0.0 107.323 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.1 p -158.92 155.46 27.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -156.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.73 136.0 54.18 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.478 1.511 . . . . 0.0 108.305 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm -77.22 83.13 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . 0.268 0.3 OUTLIER -66.48 -36.6 83.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.05 -155.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -171.27 132.93 0.82 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.002 2.521 . . . . 0.0 110.511 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . 0.428 ' C ' ' HG ' ' B' ' 72' ' ' SER . 31.1 t70 -71.44 41.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 129.713 3.205 . . . . 0.0 114.64 -177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.428 ' HG ' ' C ' ' B' ' 71' ' ' ASP . 54.3 m . . . . . 0 N--CA 1.483 1.181 0 O-C-N 119.78 -1.825 . . . . 0.0 112.437 -177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 119.564 -0.255 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.4 36.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.82 1.648 . . . . 0.0 114.944 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -98.28 -177.03 3.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.517 2.327 . . . . 0.0 110.38 169.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.64 140.74 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.993 1.717 . . . . 0.0 111.531 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -109.13 159.54 16.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.157 1.383 . . . . 0.0 112.491 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -113.49 135.61 53.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.37 1.468 . . . . 0.0 111.31 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -131.33 153.46 49.58 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.506 1.523 . . . . 0.0 110.339 173.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -139.66 121.13 15.08 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.661 0.743 . . . . 0.0 110.582 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -111.95 139.66 47.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.208 1.403 . . . . 0.0 110.286 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -94.16 131.84 39.31 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.676 1.19 . . . . 0.0 108.161 160.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -142.7 142.33 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.903 1.229 . . . . 0.0 110.797 -167.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.75 128.15 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.748 0.819 . . . . 0.0 110.649 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.8 mtm -140.88 128.38 21.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.544 1.137 . . . . 0.0 110.8 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.83 -43.26 20.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 113.608 -175.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.12 179.25 9.2 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.778 1.631 . . . . 0.0 113.267 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -60.02 -11.22 5.34 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.306 1.842 . . . . 0.0 115.846 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -30.83 11.47 Favored Glycine 0 N--CA 1.471 1.01 0 C-N-CA 124.745 1.164 . . . . 0.0 112.355 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.78 -46.86 73.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.711 1.205 . . . . 0.0 111.535 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p -58.25 -29.34 65.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.316 1.046 . . . . 0.0 112.949 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.61 -40.34 32.4 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.358 0.98 . . . . 0.0 112.915 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.33 92.11 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.215 1.008 . . . . 0.0 111.646 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 -49.62 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.168 0.587 . . . . 0.0 110.157 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -54.16 -42.8 70.02 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.765 0.711 . . . . 0.0 112.644 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -58.34 -36.05 72.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.158 0.983 . . . . 0.0 112.788 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.72 -50.02 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.953 0.797 . . . . 0.0 111.181 171.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.41 -31.9 70.83 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.4 m -50.44 -32.92 19.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.805 1.242 . . . . 0.0 113.209 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.2 -28.3 67.86 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.81 -4.5 30.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.135 1.374 . . . . 0.0 114.03 -171.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.93 -30.46 4.79 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.63 -25.1 57.75 Favored 'Trans proline' 0 C--N 1.354 0.824 0 CA-C-N 122.31 1.861 . . . . 0.0 114.541 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.17 -12.81 5.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -91.88 114.33 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.251 1.42 . . . . 0.0 108.593 164.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -81.73 -29.26 33.0 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -160.43 135.62 7.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.784 1.234 . . . . 0.0 111.897 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -136.74 154.5 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.861 1.664 . . . . 0.0 111.631 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -152.86 112.51 3.9 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.433 1.093 . . . . 0.0 111.808 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -97.18 127.04 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.753 2.021 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -124.34 108.2 11.95 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.949 1.3 . . . . 0.0 113.34 -173.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.86 131.87 35.97 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.95 0.9 . . . . 0.0 111.583 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 107.39 -46.4 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 131.535 3.934 . . . . 0.0 110.657 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -85.46 -7.51 58.88 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.371 -0.83 . . . . 0.0 112.926 168.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 59.43 25.44 14.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 128.578 2.751 . . . . 0.0 116.112 170.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -101.64 153.68 19.55 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.969 -174.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.57 119.64 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 127.004 2.122 . . . . 0.0 108.47 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 138.72 31.27 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.579 1.152 . . . . 0.0 109.713 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -135.75 139.12 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.397 1.079 . . . . 0.0 110.693 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -126.5 126.49 43.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.872 1.669 . . . . 0.0 110.116 166.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -168.61 164.03 12.28 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.006 0.923 . . . . 0.0 112.999 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.8 p -88.91 -14.69 36.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.755 1.622 . . . . 0.0 113.041 163.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.12 155.38 87.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.447 1.099 . . . . 0.0 112.819 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.4 146.93 86.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.351 2.701 . . . . 0.0 113.52 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.01 -47.5 82.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.462 0.705 . . . . 0.0 111.94 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.48 -27.2 69.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.77 1.228 . . . . 0.0 113.032 174.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.47 -48.75 59.74 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.414 -0.804 . . . . 0.0 110.502 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.764 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -52.22 -47.86 65.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.025 0.93 . . . . 0.0 111.976 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.35 -36.35 82.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.145 1.378 . . . . 0.0 114.125 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -72.3 -37.87 68.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.992 1.269 . . . . 0.0 112.153 175.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.34 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.996 0.918 . . . . 0.0 110.207 172.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -44.47 -49.4 9.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.215 1.406 . . . . 0.0 111.983 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.98 -12.83 54.41 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -74.48 -10.62 59.74 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.114 1.324 . . . . 0.0 114.208 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.44 -10.89 60.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.711 1.148 . . . . 0.0 113.751 -172.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -84.97 131.85 34.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.751 1.275 . . . . 0.0 109.383 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.76 141.53 34.69 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 111.854 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.2 124.61 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -82.39 -38.9 23.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.956 1.303 . . . . 0.0 110.945 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -172.4 132.82 0.62 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.567 1.147 . . . . 0.0 113.016 169.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.81 143.47 16.01 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 124.298 0.951 . . . . 0.0 113.739 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -125.63 149.4 48.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.535 1.134 . . . . 0.0 112.468 167.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -94.16 135.99 34.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.587 1.955 . . . . 0.0 108.395 158.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.917 1.687 . . . . 0.0 112.284 -176.663 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.53 130.21 17.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.711 1.204 . . . . 0.0 111.037 166.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.6 127.64 32.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.93 2.092 . . . . 0.0 110.684 165.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.75 137.36 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.074 1.75 . . . . 0.0 108.414 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mm -116.85 127.17 74.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.5 141.97 47.71 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.061 0.545 . . . . 0.0 110.028 176.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.04 126.03 37.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.64 107.75 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.953 1.301 . . . . 0.0 108.071 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -73.19 -15.73 61.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 112.83 -172.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.6 12.09 27.89 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.955 1.741 . . . . 0.0 116.056 -173.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 10.3 ptp -93.04 144.59 25.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.885 1.843 . . . . 0.0 111.858 172.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -173.89 -25.56 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.761 1.624 . . . . 0.0 113.472 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.97 152.1 38.79 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.718 1.207 . . . . 0.0 111.902 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 75.0 m -82.26 -12.67 57.92 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 -26.65 6.95 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.853 1.261 . . . . 0.0 114.079 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.96 -14.52 61.73 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -66.7 -55.79 13.54 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.154 1.381 . . . . 0.0 111.954 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -71.28 -3.31 19.75 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.023 0.829 . . . . 0.0 113.205 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -56.43 -40.19 74.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.011 0.924 . . . . 0.0 110.137 160.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.85 -50.39 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.97 -45.06 83.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 85.2 m -57.01 -26.59 60.51 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.021 1.329 . . . . 0.0 113.274 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.98 -49.12 6.96 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.484 1.038 . . . . 0.0 112.004 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.34 -46.32 90.32 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.121 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -55.58 -25.5 38.58 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.85 -1.49 56.71 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.649 1.58 . . . . 0.0 113.956 -176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.93 121.03 20.33 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.55 1.068 . . . . 0.0 110.122 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.37 104.12 0.16 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.167 0.987 . . . . 0.0 111.574 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.46 -28.29 3.82 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.77 1.653 . . . . 0.0 113.624 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.73 121.81 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.872 1.336 . . . . 0.0 110.273 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.4 p -93.62 -41.52 9.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.534 1.133 . . . . 0.0 111.058 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.1 151.1 46.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.805 1.642 . . . . 0.0 111.821 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 45.3 t -156.83 134.27 10.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.882 1.273 . . . . 0.0 110.125 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.48 176.0 12.14 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.357 1.863 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -151.03 136.66 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 125.91 1.684 . . . . 0.0 110.108 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 m -127.58 118.52 24.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.476 1.111 . . . . 0.0 111.47 170.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.43 -28.58 68.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.658 1.583 . . . . 0.0 114.112 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.28 -41.49 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 119.663 1.12 . . . . 0.0 112.023 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 p -108.81 -1.64 19.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.88 1.672 . . . . 0.0 113.393 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 65.12 37.46 6.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.886 2.074 . . . . 0.0 112.314 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.13 136.75 48.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.576 1.15 . . . . 0.0 113.158 -168.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.95 123.6 37.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.395 1.078 . . . . 0.0 109.698 165.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -106.35 79.33 1.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.627 1.971 . . . . 0.0 108.689 -171.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -109.0 145.17 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.137 0.975 . . . . 0.0 111.369 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -144.03 134.29 24.43 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.289 1.435 . . . . 0.0 108.193 -168.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -167.99 148.83 5.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 122.899 1.333 . . . . 0.0 112.107 -160.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.49 162.05 13.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.323 -1.762 . . . . 0.0 112.196 150.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.284 0.5 OUTLIER 108.7 160.09 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 131.528 3.931 . . . . 0.0 112.614 177.251 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.6 -24.85 15.16 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.798 2.439 . . . . 0.0 117.009 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 140.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 120.163 1.347 . . . . 0.0 114.34 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -94.81 148.35 22.39 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.738 1.615 . . . . 0.0 112.826 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.31 68.29 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 171.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.34 -31.95 70.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.132 1.373 . . . . 0.0 113.105 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -86.18 -39.74 16.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.297 1.039 . . . . 0.0 112.64 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.87 -40.48 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 118.797 0.726 . . . . 0.0 110.204 174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -46.38 -40.15 11.55 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.668 1.187 . . . . 0.0 113.885 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -74.34 -28.07 60.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.34 1.456 . . . . 0.0 110.645 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.87 -43.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.0 1.32 . . . . 0.0 110.61 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.54 -33.32 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.192 0.597 . . . . 0.0 110.03 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.32 -35.52 73.7 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.411 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.78 -18.6 64.22 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -73.19 -15.9 61.44 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.935 0.894 . . . . 0.0 112.592 166.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.25 13.25 29.2 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.653 1.597 . . . . 0.0 115.106 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -103.58 -153.47 0.48 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.195 1.497 . . . . 0.0 110.401 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -161.76 141.12 9.92 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.995 1.318 . . . . 0.0 109.038 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.3 p -172.13 169.91 5.39 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -159.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -165.86 158.57 15.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 129.135 2.974 . . . . 0.0 107.465 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.3 tt -51.84 134.11 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.841 0.829 . . . . 0.0 112.223 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -57.38 2.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.715 1.206 . . . . 0.0 107.912 171.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -176.34 164.71 2.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.516 2.327 . . . . 0.0 108.791 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -98.63 98.75 9.87 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.158 0.983 . . . . 0.0 111.136 167.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.611 1.964 . . . . 0.0 113.67 179.712 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 121.269 0.557 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -77.62 128.81 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.159 0.983 . . . . 0.0 111.237 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -108.14 156.1 19.68 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.718 1.607 . . . . 0.0 111.059 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.2 127.21 54.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.077 0.951 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.51 147.07 50.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.997 1.319 . . . . 0.0 111.114 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -140.09 124.65 18.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.518 0.727 . . . . 0.0 111.181 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -113.84 133.61 55.31 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.118 1.367 . . . . 0.0 110.074 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -95.89 120.99 37.15 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.701 1.2 . . . . 0.0 108.652 165.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.95 139.53 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.523 . . . . 0.0 109.159 -168.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.67 115.4 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.9 mtm -138.92 116.08 11.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.53 0.732 . . . . 0.0 112.092 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.4 m -83.92 -62.43 1.57 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.053 1.341 . . . . 0.0 111.897 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.58 160.05 15.6 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.6 p -64.3 -24.07 67.52 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 157.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.62 -2.62 60.84 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.905 1.24 . . . . 0.0 114.704 167.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -90.04 -53.93 4.26 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.671 1.235 . . . . 0.0 110.455 168.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 p -60.45 -36.97 79.51 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.175 -0.953 . . . . 0.0 112.288 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.28 75.02 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 121.346 -0.846 . . . . 0.0 114.33 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.31 -48.09 14.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.555 1.177 . . . . 0.0 110.736 169.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.83 -48.41 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.894 0.878 . . . . 0.0 110.736 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -56.26 -43.92 79.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.999 0.92 . . . . 0.0 112.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -64.83 -38.22 90.26 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.845 -1.16 . . . . 0.0 113.166 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.16 -47.83 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.612 1.096 . . . . 0.0 111.481 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.85 -24.86 61.77 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -53.55 -35.03 60.31 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.87 1.268 . . . . 0.0 112.224 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.1 -16.13 29.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.855 1.262 . . . . 0.0 113.487 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.32 -3.0 17.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.5 1.52 . . . . 0.0 113.912 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.2 -27.53 2.14 Favored Pre-proline 0 N--CA 1.475 0.812 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.93 -24.05 46.04 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 121.931 1.725 . . . . 0.0 113.809 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -126.5 -16.07 5.44 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.115 1.366 . . . . 0.0 114.175 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.09 127.82 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.678 1.591 . . . . 0.0 109.626 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.38 -28.4 14.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.74 139.5 23.99 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.267 -0.896 . . . . 0.0 112.007 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.48 128.91 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.766 2.026 . . . . 0.0 107.913 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.98 123.49 9.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.026 0.931 . . . . 0.0 111.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -111.43 141.28 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.402 1.081 . . . . 0.0 110.145 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -125.79 94.15 4.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.911 1.284 . . . . 0.0 109.726 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.1 -44.3 96.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.526 0.73 . . . . 0.0 112.612 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.01 -50.21 74.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.33 -5.83 25.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.852 0.861 . . . . 0.0 112.881 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 56.12 24.73 8.24 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.198 2.599 . . . . 0.0 113.99 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.348 4.5 pp -121.12 159.59 25.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.38 124.68 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 127.47 2.308 . . . . 0.0 107.893 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -100.18 132.97 45.25 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.223 1.409 . . . . 0.0 110.493 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -130.13 139.58 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.708 1.203 . . . . 0.0 110.231 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -125.47 121.24 33.19 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.647 1.579 . . . . 0.0 109.689 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -164.95 162.06 20.38 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.8 p -92.31 -7.29 48.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.947 2.099 . . . . 0.0 113.86 164.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.78 153.48 95.06 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 119.509 1.05 . . . . 0.0 111.655 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 138.44 28.49 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.305 2.67 . . . . 0.0 112.001 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -56.22 -46.95 79.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.957 1.303 . . . . 0.0 114.349 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.31 -25.64 68.13 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.33 -32.45 72.58 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.263 -0.898 . . . . 0.0 111.889 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.67 -42.51 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.204 -0.935 . . . . 0.0 109.979 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.8 mt -55.22 -39.91 70.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.024 0.829 . . . . 0.0 112.115 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -76.91 -27.15 54.83 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -74.96 -35.06 62.12 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.421 -1.424 . . . . 0.0 111.123 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.66 -46.81 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.985 0.914 . . . . 0.0 110.397 167.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.49 -35.5 76.09 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.036 -1.04 . . . . 0.0 112.786 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -73.35 -25.8 60.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 m -64.26 -34.15 77.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.192 0.997 . . . . 0.0 109.692 167.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.28 -9.72 61.22 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 126.185 1.85 . . . . 0.0 114.717 162.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.82 149.11 45.57 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.68 1.24 . . . . 0.0 112.076 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -78.06 141.84 38.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.032 0.533 . . . . 0.0 111.79 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -110.03 121.75 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.971 1.309 . . . . 0.0 109.52 -170.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.55 -39.17 38.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.2 1.0 . . . . 0.0 112.17 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.7 p -162.33 161.26 27.44 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.665 1.121 . . . . 0.0 112.547 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.42 9.44 Favored Glycine 0 N--CA 1.466 0.648 0 C-N-CA 124.405 1.003 . . . . 0.0 111.23 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -151.14 158.76 44.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.95 152.63 19.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.653 1.581 . . . . 0.0 111.331 167.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.134 1.774 . . . . 0.0 112.319 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.747 -0.094 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -84.92 -151.24 0.13 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -172.92 148.09 1.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 126.806 2.042 . . . . 0.0 109.487 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -145.37 149.78 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.406 1.483 . . . . 0.0 109.456 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.42 HG12 HD23 ' B' ' 69' ' ' LEU . 12.1 tt -140.91 135.09 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.067 0.947 . . . . 0.0 109.151 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 0.6 OUTLIER -141.75 144.01 33.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 111.554 -164.292 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.19 111.84 20.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.518 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.98 74.55 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.58 1.152 . . . . 0.0 108.613 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -53.3 -21.1 5.02 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -166.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.34 -11.52 85.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.858 -1.151 . . . . 0.0 115.214 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 23.1 mtm -68.15 120.24 14.02 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.365 1.582 . . . . 0.0 111.271 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -141.45 -61.85 0.47 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.615 1.566 . . . . 0.0 109.468 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.65 -176.46 5.82 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.68 1.592 . . . . 0.0 112.848 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.5 m -87.97 -49.78 6.84 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.893 1.277 . . . . 0.0 113.607 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.78 65.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -164.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -28.86 61.22 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.949 1.3 . . . . 0.0 113.136 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.8 p -80.41 -36.33 33.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -158.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -21.83 66.08 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.145 -177.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -53.1 -25.46 13.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.082 1.353 . . . . 0.0 112.869 167.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.51 -66.65 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.469 0.707 . . . . 0.0 110.512 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -57.05 -44.0 82.53 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.261 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.0 m -52.36 -46.62 66.22 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.599 1.159 . . . . 0.0 111.879 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.94 -49.81 18.89 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.317 0.508 . . . . 0.0 111.696 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.3 -47.3 82.86 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.866 0.757 . . . . 0.0 111.807 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -70.41 -1.68 11.44 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.84 43.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.414 1.006 . . . . 0.0 113.206 166.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.11 130.9 35.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.884 1.274 . . . . 0.0 110.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.43 25.53 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.38 -9.12 0.58 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.402 2.43 . . . . 0.0 114.945 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.73 129.31 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 120.314 2.057 . . . . 0.0 111.118 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.6 m -101.96 -32.33 10.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.427 1.891 . . . . 0.0 112.465 -172.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -165.01 151.38 10.29 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.253 1.821 . . . . 0.0 111.264 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -144.38 101.03 3.63 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.015 1.326 . . . . 0.0 111.256 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -100.32 161.81 13.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.995 1.718 . . . . 0.0 111.672 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -150.17 152.13 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.437 1.895 . . . . 0.0 110.663 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.1 m -131.78 122.22 25.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.31 1.444 . . . . 0.0 110.604 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.7 -19.93 30.14 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -161.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.8 -34.87 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.5 p -94.88 -3.45 48.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.511 1.524 . . . . 0.0 113.736 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.353 10.5 p30 51.74 15.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.135 2.974 . . . . 0.0 116.733 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.38 133.05 45.68 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.489 1.116 . . . . 0.0 110.165 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.46 126.55 49.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.854 1.661 . . . . 0.0 108.622 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -126.54 100.45 6.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.597 1.559 . . . . 0.0 109.066 -164.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.58 141.7 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.518 1.927 . . . . 0.0 110.414 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -130.08 130.4 44.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 126.357 1.863 . . . . 0.0 106.636 -171.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -163.17 148.13 11.39 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.669 1.223 . . . . 0.0 111.469 -168.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.57 -69.63 0.25 Allowed 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 129.219 3.008 . . . . 0.0 114.285 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 48.0 t30 178.12 156.61 0.4 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.269 2.228 . . . . 0.0 108.952 -158.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . 0.283 30.1 mt-10 104.22 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 1 C-N-CA 132.898 4.479 . . . . 0.0 112.752 165.17 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.13 147.44 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.831 1.652 . . . . 0.0 112.714 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -104.66 157.2 17.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.332 1.453 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.98 69.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.188 0.595 . . . . 0.0 112.041 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.02 -43.83 94.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.729 0.812 . . . . 0.0 112.174 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -64.21 -42.42 96.62 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.501 -0.749 . . . . 0.0 111.406 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.44 -43.06 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.231 1.012 . . . . 0.0 110.971 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -59.01 -32.29 69.57 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.17 -0.956 . . . . 0.0 112.887 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.02 -35.25 37.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.732 1.151 . . . . 0.0 110.258 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.02 -50.69 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.799 1.24 . . . . 0.0 111.305 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -75.99 -28.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.588 0.755 . . . . 0.0 111.449 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.71 -32.81 68.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.582 166.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.12 -7.11 54.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.427 1.467 . . . . 0.0 114.649 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.98 -9.1 58.34 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.131 0.878 . . . . 0.0 112.288 161.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.79 24.46 17.66 Favored Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.422 1.487 . . . . 0.0 114.403 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -107.89 -164.63 0.98 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.956 1.303 . . . . 0.0 110.979 173.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.88 11.21 4.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.214 1.406 . . . . 0.0 114.647 -162.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 28.2 p -63.36 145.16 56.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -148.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -119.24 138.46 52.97 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 108.266 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.65 106.93 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.402 1.081 . . . . 0.0 108.738 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' B' ' 6' ' ' LEU . 0.3 OUTLIER -71.02 -45.23 64.27 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.628 1.571 . . . . 0.0 109.468 -170.067 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 mtm-85 -152.59 151.93 31.23 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.319 2.247 . . . . 0.0 108.409 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -87.59 32.98 0.7 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.469 1.508 . . . . 0.0 112.352 165.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 125.851 1.66 . . . . 0.0 113.867 -174.804 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 . . . . . 0 CA--C 1.554 1.109 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 78.7 mt 72.88 146.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 130.408 3.483 . . . . 0.0 115.026 165.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -130.66 163.08 27.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.384 1.474 . . . . 0.0 112.746 164.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -117.2 134.56 54.64 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.343 1.457 . . . . 0.0 111.515 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -131.35 154.22 48.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.209 1.803 . . . . 0.0 110.959 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -140.38 129.32 23.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.957 1.303 . . . . 0.0 108.915 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -128.96 139.72 51.98 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.57 1.148 . . . . 0.0 110.801 -173.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.11 114.67 28.74 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.084 1.754 . . . . 0.0 109.335 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t -149.91 133.43 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.08 0.952 . . . . 0.0 111.063 -159.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 t -78.29 131.86 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.348 1.459 . . . . 0.0 110.3 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.2 ptp -151.5 145.94 25.54 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.282 1.033 . . . . 0.0 110.24 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -61.35 -50.59 72.32 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -158.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 16' ' ' SER . 2.6 t -166.88 -172.59 2.13 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 125.432 1.493 . . . . 0.0 112.693 -170.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 p -48.35 -28.34 3.12 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.979 3.312 . . . . 0.0 115.826 174.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.91 -46.37 17.36 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -57.99 -43.94 86.88 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.529 -0.748 . . . . 0.0 112.432 171.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.1 p -68.02 -37.11 81.0 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.96 1.254 . . . . 0.0 112.712 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.36 73.59 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 119.245 0.929 . . . . 0.0 113.57 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.9 22.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.8 1.64 . . . . 0.0 112.031 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.1 t -57.9 -40.57 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.136 -0.978 . . . . 0.0 110.062 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -55.3 -41.84 72.89 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.327 169.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -64.26 -40.45 96.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.658 1.117 . . . . 0.0 113.154 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.48 -40.15 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 120.015 1.279 . . . . 0.0 110.931 172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.87 -3.6 59.09 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.825 1.25 . . . . 0.0 113.771 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.7 m -80.99 -51.08 8.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.418 1.487 . . . . 0.0 109.667 166.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.13 -15.24 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.592 -1.318 . . . . 0.0 114.416 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.41 1.53 54.22 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.697 1.599 . . . . 0.0 115.074 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -47.62 -32.92 3.2 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -58.58 -14.1 19.93 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 121.773 1.669 . . . . 0.0 114.827 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -132.91 -24.03 1.95 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.568 1.547 . . . . 0.0 114.063 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.77 133.16 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 120.356 -1.465 . . . . 0.0 110.565 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -44.97 11.56 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.147 1.379 . . . . 0.0 111.846 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.75 149.45 3.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.21 1.804 . . . . 0.0 110.445 -170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -133.97 168.98 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.964 1.706 . . . . 0.0 111.933 161.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -158.27 129.95 6.71 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.264 1.026 . . . . 0.0 111.664 162.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.4 mt -99.16 121.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.185 0.994 . . . . 0.0 110.274 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 m -102.36 77.34 1.64 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.475 1.91 . . . . 0.0 109.29 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.41 -37.78 88.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.989 1.716 . . . . 0.0 114.037 -165.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.83 -31.66 61.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.858 0.754 . . . . 0.0 111.739 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -81.26 -3.33 52.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.058 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 80.39 10.2 1.17 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.853 2.461 . . . . 0.0 113.642 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -125.26 158.3 34.45 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -166.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.84 134.6 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 127.076 2.15 . . . . 0.0 109.172 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -101.79 138.32 38.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.326 1.45 . . . . 0.0 110.822 171.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.45 142.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.752 1.221 . . . . 0.0 111.583 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.49 126.27 27.38 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.579 1.952 . . . . 0.0 109.445 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 t -170.63 155.74 5.01 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 p -76.02 -5.4 46.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 128.913 2.885 . . . . 0.0 114.275 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.85 158.7 67.43 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.216 1.406 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.84 167.24 10.64 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.345 3.363 . . . . 0.0 113.735 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -77.66 -45.55 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.432 0.693 . . . . 0.0 111.37 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.88 -43.14 65.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.7 1.2 . . . . 0.0 111.951 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.65 -35.04 76.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.384 0.673 . . . . 0.0 112.797 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.8 -41.81 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.429 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.91 -41.14 64.14 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.09 0.859 . . . . 0.0 111.665 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -71.96 -37.2 69.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.887 1.675 . . . . 0.0 113.814 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' THR . 49.5 mmtt -66.69 -44.98 80.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.221 1.373 . . . . 0.0 111.554 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.47 -54.87 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.418 1.087 . . . . 0.0 110.226 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -47.83 -48.97 30.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.975 1.31 . . . . 0.0 112.829 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -61.46 -28.97 69.66 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' LYS . 27.0 p -69.2 -15.99 63.51 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.84 7.55 80.98 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 124.541 1.067 . . . . 0.0 114.967 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -91.51 137.77 32.1 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.488 1.515 . . . . 0.0 109.663 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.54 126.37 35.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.385 -0.822 . . . . 0.0 111.379 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.5 t -82.89 133.1 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.085 1.354 . . . . 0.0 110.152 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -93.74 -51.47 4.9 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.071 1.348 . . . . 0.0 109.798 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -168.21 169.78 10.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.918 1.687 . . . . 0.0 111.249 167.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.71 156.85 26.91 Favored Glycine 0 N--CA 1.471 0.995 0 O-C-N 121.195 -0.941 . . . . 0.0 114.268 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -154.61 160.04 41.21 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -100.78 147.07 26.48 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.705 2.002 . . . . 0.0 111.17 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.255 1.376 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.174 -174.502 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.715 0.293 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -145.87 112.94 6.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 129.222 3.009 . . . . 0.0 108.281 -167.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -75.13 144.03 43.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.977 1.711 . . . . 0.0 112.583 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.3 156.16 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 126.784 2.034 . . . . 0.0 110.162 165.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 tt -131.87 142.82 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 123.418 0.687 . . . . 0.0 109.342 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.92 146.63 39.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.553 1.141 . . . . 0.0 110.528 -172.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.68 118.38 32.25 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.541 0.736 . . . . 0.0 109.916 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.88 74.38 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.557 1.143 . . . . 0.0 108.785 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -28.47 68.65 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.413 -0.805 . . . . 0.0 112.555 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.08 16.64 56.67 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.826 1.679 . . . . 0.0 114.653 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.4 ptm -62.82 166.06 6.0 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.113 1.457 . . . . 0.0 113.813 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -170.65 144.96 2.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.582 1.953 . . . . 0.0 110.176 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t 53.35 -150.97 0.35 Allowed 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 129.113 2.965 . . . . 0.0 113.942 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 80.9 p -118.05 -89.05 0.6 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.729 1.612 . . . . 0.0 111.804 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.74 61.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.443 1.497 . . . . 0.0 113.265 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.04 -41.3 62.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.638 1.575 . . . . 0.0 112.141 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.0 p -63.28 -31.89 73.16 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.548 1.139 . . . . 0.0 112.986 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.31 -8.27 38.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.642 1.11 . . . . 0.0 112.664 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -55.24 -28.2 51.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.737 1.153 . . . . 0.0 110.917 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.84 -51.38 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.734 0.697 . . . . 0.0 110.799 168.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.13 -38.6 91.14 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.98 -1.075 . . . . 0.0 111.746 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -52.23 -41.3 62.64 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.203 0.91 . . . . 0.0 113.338 169.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.98 -51.21 41.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.186 0.903 . . . . 0.0 111.54 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.07 -35.32 80.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.605 0.638 . . . . 0.0 112.287 -175.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -70.5 -2.62 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.343 1.457 . . . . 0.0 113.929 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.1 -9.48 21.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.94 1.296 . . . . 0.0 113.859 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.52 -168.5 2.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.502 1.521 . . . . 0.0 110.586 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -127.04 135.95 51.52 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.589 1.156 . . . . 0.0 110.261 167.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.36 -32.9 3.97 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-O 118.023 -1.432 . . . . 0.0 115.471 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.65 123.76 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.312 2.056 . . . . 0.0 110.419 -174.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -86.65 -38.93 16.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.485 1.514 . . . . 0.0 112.209 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -168.44 145.9 4.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.445 1.898 . . . . 0.0 111.171 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t -127.52 135.25 50.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 111.602 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -135.67 118.35 16.03 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.87 1.268 . . . . 0.0 112.711 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.87 125.52 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 127.657 2.383 . . . . 0.0 110.116 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -107.41 107.67 18.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.315 1.046 . . . . 0.0 111.282 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.43 -18.28 62.33 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.76 -24.27 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.259 0.936 . . . . 0.0 111.666 173.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -125.52 -2.45 7.39 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.322 12.1 p30 50.64 18.94 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.07 2.148 . . . . 0.0 115.886 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -78.42 132.85 37.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.728 1.211 . . . . 0.0 110.48 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.99 121.1 42.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.39 1.476 . . . . 0.0 108.782 171.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -114.47 101.37 9.07 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 125.559 1.543 . . . . 0.0 107.793 -168.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.69 142.07 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.714 1.606 . . . . 0.0 110.555 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.2 m -129.53 130.55 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 127.079 2.152 . . . . 0.0 106.157 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -156.62 135.12 11.5 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 122.818 1.294 . . . . 0.0 111.627 -166.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.6 149.44 47.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.134 0.968 . . . . 0.0 110.931 158.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -70.51 10.99 0.4 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -161.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.85 -15.51 59.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.858 1.263 . . . . 0.0 113.348 167.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -126.92 163.8 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.49 2.316 . . . . 0.0 109.311 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -125.62 151.36 46.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.005 1.722 . . . . 0.0 110.828 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.42 68.7 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.27 -28.38 67.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.654 0.782 . . . . 0.0 111.909 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -73.54 -37.36 65.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.802 -1.187 . . . . 0.0 111.115 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.11 -42.32 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.784 -1.197 . . . . 0.0 110.136 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.8 -5.33 8.58 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.529 1.532 . . . . 0.0 114.234 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -102.9 -52.3 3.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.593 1.557 . . . . 0.0 108.044 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.7 mm -46.74 -52.53 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.77 2.428 . . . . 0.0 113.454 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.14 -31.48 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.387 0.675 . . . . 0.0 111.071 -177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -79.63 -28.07 40.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.67 -15.18 52.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.202 0.91 . . . . 0.0 113.375 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.15 -29.82 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.992 -1.067 . . . . 0.0 111.613 164.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.99 24.98 5.29 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.139 1.828 . . . . 0.0 115.014 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.93 -155.82 0.57 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.49 1.145 . . . . 0.0 110.243 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -156.74 139.97 15.58 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.261 1.824 . . . . 0.0 107.72 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -162.31 156.88 22.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.07 145.26 51.32 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.969 2.108 . . . . 0.0 107.289 164.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.93 116.17 5.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 167.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.04 -47.04 9.26 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.885 1.274 . . . . 0.0 108.821 -164.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -157.04 150.51 24.23 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.79 1.636 . . . . 0.0 109.424 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.82 23.03 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.467 1.507 . . . . 0.0 114.89 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 128.109 2.564 . . . . 0.0 112.939 -178.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 CA--C 1.536 0.43 0 CA-C-O 121.136 0.493 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.3 mt -89.33 143.19 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -170.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.93 168.41 11.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.394 2.278 . . . . 0.0 111.053 171.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -132.61 133.61 43.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.391 1.476 . . . . 0.0 111.153 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -142.15 148.2 37.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.056 1.342 . . . . 0.0 111.876 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -141.58 147.03 37.02 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 111.362 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -143.43 144.45 32.03 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.436 1.494 . . . . 0.0 111.213 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -91.75 119.96 32.05 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.824 1.249 . . . . 0.0 108.831 160.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.42 138.47 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.038 1.335 . . . . 0.0 109.494 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -71.76 110.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.7 mtm -130.01 96.59 4.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.473 1.109 . . . . 0.0 109.462 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -89.31 -51.82 5.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.074 2.149 . . . . 0.0 112.391 -167.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.7 p -89.84 -161.56 0.79 Allowed 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 122.724 1.249 . . . . 0.0 113.84 -166.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 p -93.03 -10.53 35.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.21 2.204 . . . . 0.0 113.662 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.74 -15.61 6.76 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 125.133 1.349 . . . . 0.0 116.019 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 t -65.86 -41.66 91.35 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.662 1.731 . . . . 0.0 112.65 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.54 -21.94 41.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.7 1.6 . . . . 0.0 114.191 171.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.94 -43.42 5.39 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.983 1.277 . . . . 0.0 111.357 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.9 93.88 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.551 1.176 . . . . 0.0 111.966 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.62 -44.77 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 122.843 0.457 . . . . 0.0 111.068 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -59.09 -43.32 91.84 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.651 0.66 . . . . 0.0 111.479 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -61.34 -21.85 64.39 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.081 1.353 . . . . 0.0 114.09 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.46 -45.72 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.757 1.162 . . . . 0.0 111.598 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.08 -33.7 44.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.221 1.008 . . . . 0.0 113.233 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 p -65.25 -15.98 63.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.027 1.331 . . . . 0.0 114.349 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -75.78 -5.34 45.32 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.589 1.155 . . . . 0.0 113.124 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.3 mt -125.46 22.26 7.72 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.19 1.796 . . . . 0.0 112.818 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -56.3 -24.94 1.56 Allowed Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -60.91 -24.49 79.46 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 CA-C-N 121.852 1.697 . . . . 0.0 113.359 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -122.81 -23.46 5.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.997 1.319 . . . . 0.0 114.352 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.53 132.4 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.345 1.458 . . . . 0.0 109.83 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -99.12 -39.51 8.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.455 1.502 . . . . 0.0 113.27 -167.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -162.25 145.37 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.622 1.169 . . . . 0.0 111.998 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -134.53 143.26 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.442 1.497 . . . . 0.0 109.579 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.5 125.37 11.95 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.889 1.222 . . . . 0.0 112.262 162.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.9 117.63 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.156 0.982 . . . . 0.0 110.773 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -111.87 92.94 4.22 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.718 -1.239 . . . . 0.0 111.036 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.84 -43.32 94.66 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.984 1.314 . . . . 0.0 113.684 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.98 -28.11 64.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.246 1.018 . . . . 0.0 112.242 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -89.25 -4.3 58.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.442 1.097 . . . . 0.0 112.86 170.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 49.93 27.22 2.29 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.24 2.216 . . . . 0.0 114.623 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -100.15 150.41 22.53 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.696 1.198 . . . . 0.0 113.141 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -127.22 126.99 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 113.343 -1.753 . . . . 0.0 108.503 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -118.04 130.79 56.37 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 110.894 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -139.3 139.97 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.914 0.885 . . . . 0.0 111.778 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.57 138.28 54.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.264 1.826 . . . . 0.0 109.899 160.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 t -168.89 156.42 7.48 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.224 1.41 . . . . 0.0 111.378 -174.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.0 p -81.97 -8.06 59.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.433 1.493 . . . . 0.0 113.056 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.46 149.32 86.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.104 1.362 . . . . 0.0 112.532 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.41 150.38 32.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.823 3.015 . . . . 0.0 111.865 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.63 -38.26 89.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 0.0 112.838 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.19 -33.2 67.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.991 1.317 . . . . 0.0 112.857 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.7 -31.67 63.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.656 -0.652 . . . . 0.0 112.008 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.3 -41.48 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.004 0.921 . . . . 0.0 110.852 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.19 -34.92 75.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.432 0.693 . . . . 0.0 112.143 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -74.53 -32.51 62.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.81 1.244 . . . . 0.0 113.977 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -67.52 -35.68 79.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.598 1.09 . . . . 0.0 111.683 167.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.54 -39.89 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.131 0.972 . . . . 0.0 111.452 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.23 -42.63 99.27 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.915 0.78 . . . . 0.0 111.138 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.0 -40.2 87.29 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -76.66 -11.52 59.87 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -25.39 2.63 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.678 1.608 . . . . 0.0 115.669 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.47 132.06 51.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.53 1.165 . . . . 0.0 111.083 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.43 151.21 41.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.145 0.578 . . . . 0.0 112.358 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.83 149.59 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.483 1.113 . . . . 0.0 111.385 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -102.43 -31.74 10.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.398 1.079 . . . . 0.0 112.821 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 p -171.95 169.67 5.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 110.597 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.12 164.62 22.0 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 121.509 -0.744 . . . . 0.0 114.254 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -168.53 171.44 8.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.339 1.456 . . . . 0.0 114.062 -174.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.09 146.17 25.82 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.315 2.246 . . . . 0.0 111.237 172.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.941 1.697 . . . . 0.0 113.165 -173.544 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -178.93 150.35 0.48 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.803 2.841 . . . . 0.0 107.93 -170.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -140.39 148.12 40.78 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 127.673 2.389 . . . . 0.0 111.577 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 m -152.75 161.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 126.043 1.737 . . . . 0.0 111.229 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.9 135.74 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.225 1.01 . . . . 0.0 109.247 164.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -112.15 154.29 25.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.33 1.852 . . . . 0.0 109.675 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.63 138.74 31.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.99 0.516 . . . . 0.0 109.618 159.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.37 87.87 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.494 1.918 . . . . 0.0 108.06 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.47 -13.03 62.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 7.41 67.34 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.479 -167.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.2 ptp -85.83 154.95 21.2 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.429 1.614 . . . . 0.0 112.323 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.4 t 167.02 -37.87 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 129.758 3.223 . . . . 0.0 110.963 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.77 165.13 25.44 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.882 2.073 . . . . 0.0 113.961 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -92.76 3.66 55.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -162.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.21 -24.14 0.74 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -63.71 -22.39 66.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 120.676 1.58 . . . . 0.0 112.672 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -58.45 -47.93 82.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 125.953 1.701 . . . . 0.0 112.611 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -29.63 69.74 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.088 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -55.54 -33.95 64.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.433 1.093 . . . . 0.0 111.005 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -54.31 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.833 0.742 . . . . 0.0 109.188 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -63.64 -54.0 42.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.51 1.124 . . . . 0.0 112.622 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 m -48.22 -39.74 22.18 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.368 1.467 . . . . 0.0 112.596 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.13 -53.39 4.89 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.909 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.311 0.7 OUTLIER -74.8 -28.75 60.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.128 1.331 . . . . 0.0 112.998 -173.344 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -57.84 -25.29 60.47 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.72 1.146 . . . . 0.0 112.698 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -0.74 53.86 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.4 mt -79.95 133.02 36.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.593 1.088 . . . . 0.0 110.471 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -61.75 117.09 5.38 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.3 1.04 . . . . 0.0 110.869 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.21 -25.1 16.79 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.784 1.659 . . . . 0.0 113.953 -170.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.19 137.06 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 120.529 2.165 . . . . 0.0 111.596 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.0 m -106.53 -41.13 5.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.575 1.55 . . . . 0.0 111.528 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -165.08 161.16 19.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.93 1.292 . . . . 0.0 113.114 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.1 130.6 27.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.152 2.181 . . . . 0.0 110.916 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -131.14 167.0 19.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.89 1.676 . . . . 0.0 110.53 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.6 pt -148.7 167.95 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.548 1.539 . . . . 0.0 112.775 -170.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.2 m -138.59 109.94 6.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 111.519 165.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.55 -30.51 67.18 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.4 1.88 . . . . 0.0 116.045 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 83.5 t -81.54 -34.38 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.374 0.533 . . . . 0.0 111.264 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -102.02 -7.72 22.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.141 1.376 . . . . 0.0 113.795 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 65.12 25.13 12.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.468 1.907 . . . . 0.0 112.802 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -87.29 143.9 27.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.991 1.717 . . . . 0.0 111.563 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 92.3 m -132.21 121.33 23.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.509 . . . . 0.0 109.857 169.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -113.12 116.28 29.61 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.9 139.18 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.79 2.036 . . . . 0.0 110.701 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -123.31 122.36 38.14 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 127.382 2.273 . . . . 0.0 106.693 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -152.75 -144.08 0.14 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -165.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -174.57 153.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.918 3.287 . . . . 0.0 109.96 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -75.68 8.79 2.69 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -158.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.03 -19.03 64.9 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.736 1.214 . . . . 0.0 112.679 164.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.15 157.83 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 109.503 166.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 p -119.69 158.85 25.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.877 1.671 . . . . 0.0 111.983 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.96 58.85 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.95 -37.91 69.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.921 1.288 . . . . 0.0 112.657 171.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 75.4 m -66.52 -39.54 88.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.579 -0.7 . . . . 0.0 110.535 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.91 -41.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.167 -0.958 . . . . 0.0 110.17 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -67.44 -4.59 11.68 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -95.83 -54.49 3.32 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.296 -1.503 . . . . 0.0 108.067 169.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.81 -49.22 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.518 1.527 . . . . 0.0 112.634 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.99 -23.0 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.325 -0.859 . . . . 0.0 111.509 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.68 -27.82 58.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.766 -0.635 . . . . 0.0 112.643 166.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -79.12 -19.74 50.35 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.812 1.245 . . . . 0.0 113.383 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.2 m -72.14 -10.95 60.47 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.355 1.062 . . . . 0.0 113.0 165.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.49 19.57 27.28 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.419 1.009 . . . . 0.0 115.01 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.87 -170.61 1.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.94 1.37 . . . . 0.0 110.644 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -134.62 132.77 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 127.03 2.132 . . . . 0.0 107.119 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -164.81 163.41 21.25 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -158.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -172.54 156.14 3.57 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.728 2.411 . . . . 0.0 110.498 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 tp -49.05 126.95 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.339 1.056 . . . . 0.0 111.385 160.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -101.94 -48.82 4.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.74 1.216 . . . . 0.0 108.913 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -170.83 177.22 3.89 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.945 2.098 . . . . 0.0 110.723 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.33 70.06 5.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.533 1.933 . . . . 0.0 111.801 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.462 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.41 129.8 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 125.011 1.325 . . . . 0.0 110.516 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.78 152.9 18.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.809 1.644 . . . . 0.0 110.989 164.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -113.36 134.14 54.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.949 1.3 . . . . 0.0 110.025 168.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -125.07 144.43 50.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.126 1.37 . . . . 0.0 110.303 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -134.41 117.5 16.38 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.736 0.814 . . . . 0.0 110.112 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.04 134.65 55.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.963 1.305 . . . . 0.0 111.106 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -99.08 122.29 42.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.433 1.893 . . . . 0.0 107.281 165.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.81 145.22 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.331 1.052 . . . . 0.0 110.41 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 116.47 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.619 0.768 . . . . 0.0 110.16 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.6 mtm -142.03 141.22 32.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.157 0.983 . . . . 0.0 112.984 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 m -139.72 -22.06 0.89 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.111 1.764 . . . . 0.0 113.427 -167.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.2 143.85 27.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.975 1.31 . . . . 0.0 111.445 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -63.49 -24.63 67.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.494 1.518 . . . . 0.0 114.369 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.44 -42.9 9.81 Favored Glycine 0 N--CA 1.47 0.933 0 CA-C-N 119.077 0.853 . . . . 0.0 111.722 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.6 t -66.11 -31.62 72.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.033 1.333 . . . . 0.0 112.932 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 p -82.97 -43.02 16.9 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.688 -1.257 . . . . 0.0 111.505 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -19.0 43.11 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 125.084 1.326 . . . . 0.0 113.708 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.64 -44.19 37.21 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.181 0.993 . . . . 0.0 112.678 161.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.03 -47.68 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.721 1.146 . . . . 0.0 110.701 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -54.97 -55.02 35.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.899 0.88 . . . . 0.0 110.789 170.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.92 -20.56 62.46 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.41 -54.67 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 O-C-N 120.416 -1.428 . . . . 0.0 110.375 163.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.29 -16.34 59.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.0 m -56.03 -27.22 52.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.487 1.115 . . . . 0.0 112.435 164.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' B' ' 60' ' ' GLU . 60.7 mttp -62.32 -10.16 10.29 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.281 -1.512 . . . . 0.0 114.001 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -115.98 22.01 13.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.437 1.895 . . . . 0.0 113.193 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -47.24 -35.37 5.96 Favored Pre-proline 0 N--CA 1.481 1.084 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.79 -13.18 38.9 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.748 1.632 . . . . 0.0 114.098 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -130.74 -30.95 1.79 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.183 1.793 . . . . 0.0 113.808 -171.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -109.52 119.01 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.899 2.08 . . . . 0.0 107.295 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 p -89.7 -33.93 16.43 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -155.29 141.98 18.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.444 1.098 . . . . 0.0 112.802 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 mp -123.35 136.87 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.901 1.68 . . . . 0.0 109.103 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -145.85 113.99 6.59 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.338 1.055 . . . . 0.0 112.08 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.3 mt -98.32 143.34 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.274 1.43 . . . . 0.0 111.438 -173.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -132.82 88.94 2.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.154 1.782 . . . . 0.0 109.742 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.73 -38.2 86.2 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.353 1.061 . . . . 0.0 113.854 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -63.71 -37.61 87.99 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.234 0.925 . . . . 0.0 110.568 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -92.75 10.72 29.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.853 1.261 . . . . 0.0 113.027 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 57.85 22.21 8.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.471 2.308 . . . . 0.0 115.338 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.13 151.94 22.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.332 1.453 . . . . 0.0 113.818 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -137.36 129.85 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.793 2.037 . . . . 0.0 109.01 170.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -102.78 135.58 44.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.396 1.478 . . . . 0.0 110.507 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.79 141.39 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.926 1.29 . . . . 0.0 110.685 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -131.13 129.47 41.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.036 1.734 . . . . 0.0 111.008 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -169.32 155.97 6.64 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.876 0.87 . . . . 0.0 113.214 -171.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -83.15 -7.54 59.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.452 1.501 . . . . 0.0 113.75 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.33 164.28 62.17 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.779 1.632 . . . . 0.0 114.104 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.17 149.39 89.46 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.048 3.165 . . . . 0.0 112.929 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -67.35 -47.16 71.24 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.85 0.86 . . . . 0.0 111.731 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -63.22 -23.14 67.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.642 1.177 . . . . 0.0 112.936 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -67.26 -41.88 84.81 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.762 -0.586 . . . . 0.0 110.959 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mm -69.06 -34.81 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.775 0.83 . . . . 0.0 111.989 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.76 -42.31 68.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.923 0.889 . . . . 0.0 112.422 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.42 -30.33 57.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.914 1.286 . . . . 0.0 113.809 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.57 -37.97 80.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.641 1.109 . . . . 0.0 110.969 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.56 -50.55 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.594 -0.691 . . . . 0.0 110.27 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -53.34 -40.28 64.75 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.056 0.844 . . . . 0.0 112.392 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -54.61 -30.26 54.17 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.5 p -77.83 19.09 0.42 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.792 1.237 . . . . 0.0 114.16 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.15 85.2 Favored Glycine 0 N--CA 1.469 0.838 0 C-N-CA 125.385 1.469 . . . . 0.0 115.061 163.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.6 150.97 48.58 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -165.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -86.21 139.85 30.68 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -88.85 126.35 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.529 1.532 . . . . 0.0 108.656 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -78.48 -42.03 30.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.432 1.493 . . . . 0.0 111.436 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 149.08 3.63 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.196 1.399 . . . . 0.0 112.758 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.13 141.06 12.33 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 125.289 1.423 . . . . 0.0 113.565 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -124.83 151.49 45.16 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 113.184 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.37 128.4 52.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.236 2.214 . . . . 0.0 108.764 166.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 123.975 0.91 . . . . 0.0 112.254 -169.425 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -168.09 148.21 4.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 127.997 2.519 . . . . 0.0 107.204 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.99 151.41 50.8 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.838 2.055 . . . . 0.0 111.704 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 p -162.29 135.42 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.345 1.058 . . . . 0.0 111.217 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -118.39 137.42 52.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.539 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 3.9 pp -139.13 141.51 38.06 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.972 0.909 . . . . 0.0 111.25 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.04 111.14 22.47 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.016 0.826 . . . . 0.0 110.202 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.77 113.06 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.014 0.926 . . . . 0.0 110.886 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -78.72 -3.76 45.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.826 1.251 . . . . 0.0 113.997 -172.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.14 3.48 28.43 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -164.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -107.24 151.96 24.75 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.826 1.313 . . . . 0.0 113.884 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 -49.08 1.75 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.202 1.001 . . . . 0.0 112.352 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 p -145.55 -168.79 3.06 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.203 1.401 . . . . 0.0 113.221 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -72.93 4.66 3.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.604 1.562 . . . . 0.0 114.29 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.23 -48.55 6.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.504 1.122 . . . . 0.0 109.89 163.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -55.95 -39.88 72.37 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.06 1.344 . . . . 0.0 112.329 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 p -66.75 -54.47 22.51 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 111.682 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -70.33 -17.32 63.06 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.128 1.331 . . . . 0.0 113.248 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -70.0 -19.17 63.34 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.619 -0.676 . . . . 0.0 111.276 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.7 -64.56 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.486 1.114 . . . . 0.0 110.303 169.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -56.0 -54.95 38.65 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.135 1.374 . . . . 0.0 111.918 -169.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.9 m -53.78 -34.75 60.04 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.663 1.12 . . . . 0.0 113.017 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -78.18 -43.87 27.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.826 0.739 . . . . 0.0 112.081 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.51 -43.42 49.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.737 0.815 . . . . 0.0 112.296 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -54.87 -28.51 50.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.361 1.065 . . . . 0.0 113.06 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 0.71 15.57 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.297 1.439 . . . . 0.0 114.866 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -76.66 123.94 26.9 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 119.645 1.111 . . . . 0.0 110.953 173.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -65.94 105.67 1.38 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.651 0.78 . . . . 0.0 110.104 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.89 -24.5 3.82 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.643 2.068 . . . . 0.0 113.728 -169.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.46 140.56 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 118.904 1.352 . . . . 0.0 110.67 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 34.9 p -120.36 -32.34 4.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.266 1.827 . . . . 0.0 113.535 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -143.69 153.98 43.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.934 1.694 . . . . 0.0 110.33 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 35.7 t -147.87 136.31 21.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.172 0.989 . . . . 0.0 111.258 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.37 159.61 44.18 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.259 1.824 . . . . 0.0 111.72 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -150.17 136.08 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.261 2.225 . . . . 0.0 109.639 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -119.55 137.33 53.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.091 0.956 . . . . 0.0 110.952 166.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.14 -29.59 16.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.391 1.077 . . . . 0.0 113.706 -155.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -76.63 -20.55 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 111.773 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -127.17 10.31 6.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.295 2.238 . . . . 0.0 112.637 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.5 8.76 5.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.793 1.637 . . . . 0.0 114.353 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -89.95 122.56 33.09 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.308 1.043 . . . . 0.0 112.498 -166.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -113.45 126.74 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.152 2.181 . . . . 0.0 110.002 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -114.35 103.02 10.65 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.239 1.815 . . . . 0.0 108.597 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.51 134.09 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.468 1.507 . . . . 0.0 110.424 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -134.03 121.72 21.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.991 1.316 . . . . 0.0 108.825 -168.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -147.4 -151.46 0.39 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.792 1.237 . . . . 0.0 111.21 -161.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.75 163.69 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 127.787 2.435 . . . . 0.0 110.706 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.4 -0.46 3.68 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -154.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -63.39 -27.44 69.31 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 111.739 161.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 78.1 t -107.14 152.76 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.207 1.803 . . . . 0.0 108.365 169.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.9 t -134.5 144.07 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.813 1.645 . . . . 0.0 110.649 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.47 49.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.196 1.398 . . . . 0.0 113.445 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.29 -38.49 68.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.194 0.998 . . . . 0.0 112.186 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -69.76 -39.92 76.42 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 90.5 mt -54.8 -47.35 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 121.616 -0.677 . . . . 0.0 110.104 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -70.06 4.56 2.05 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.07 -38.29 4.22 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.101 -1.624 . . . . 0.0 110.265 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -72.32 -39.65 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 111.736 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.93 -26.85 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.385 0.993 . . . . 0.0 111.363 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 75.2 mt-10 -80.9 -33.26 34.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.239 0.615 . . . . 0.0 111.113 173.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -67.06 -23.97 65.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.131 1.373 . . . . 0.0 112.685 171.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.46 -14.99 56.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 113.185 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.76 22.72 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.967 1.27 . . . . 0.0 116.202 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -114.96 -167.09 1.18 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.171 1.388 . . . . 0.0 110.11 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -169.24 140.94 2.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.842 1.257 . . . . 0.0 110.065 -164.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 23.2 p -161.05 172.75 16.3 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.705 1.202 . . . . 0.0 112.191 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.45 -0.95 21.91 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mm 47.36 78.71 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 128.392 2.677 . . . . 0.0 110.095 -161.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.539 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.284 0.5 OUTLIER -54.04 -44.78 71.31 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -166.044 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -170.26 140.3 1.87 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.195 1.798 . . . . 0.0 112.086 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.85 36.31 0.39 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.912 2.885 . . . . 0.0 114.136 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.256 1.424 0 C-N-CA 127.358 2.263 . . . . 0.0 116.932 -158.514 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 121.169 0.509 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.9 mt -72.64 136.11 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.448 0.699 . . . . 0.0 109.791 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -111.97 146.2 38.27 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.643 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -105.69 125.65 51.24 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.418 0.687 . . . . 0.0 111.61 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -128.02 157.62 40.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.532 1.533 . . . . 0.0 111.111 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -152.83 131.76 12.52 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.48 -0.763 . . . . 0.0 112.169 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.05 151.11 50.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.99 1.716 . . . . 0.0 110.67 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -111.06 127.78 55.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.208 1.403 . . . . 0.0 109.839 170.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.26 138.41 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.367 1.067 . . . . 0.0 109.569 -167.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.24 114.37 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 0.0 109.898 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.67 118.3 13.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.89 0.876 . . . . 0.0 112.261 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 p -70.12 -38.3 75.56 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.891 1.677 . . . . 0.0 114.539 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.2 p -169.04 177.16 5.01 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 122.097 0.951 . . . . 0.0 113.352 -150.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -68.31 -6.67 25.36 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.771 -1.206 . . . . 0.0 113.973 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.25 94.95 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.282 0.947 . . . . 0.0 111.154 167.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -59.44 -48.16 82.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.809 0.843 . . . . 0.0 111.2 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -57.5 -25.94 60.55 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.3 -63.72 1.92 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.35 89.41 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.97 -46.2 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.552 0.615 . . . . 0.0 110.773 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.81 -42.55 89.43 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.997 0.817 . . . . 0.0 110.677 171.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -71.07 3.74 3.21 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.643 1.577 . . . . 0.0 114.997 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.4 -51.77 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.721 -1.237 . . . . 0.0 110.798 156.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.12 -15.44 61.48 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -57.09 -23.72 48.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.181 1.793 . . . . 0.0 113.877 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.86 -11.87 61.0 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.841 1.257 . . . . 0.0 113.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -123.7 17.56 9.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.056 1.742 . . . . 0.0 113.441 -169.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.25 -27.65 3.0 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -58.98 -24.11 71.6 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 121.635 1.62 . . . . 0.0 113.752 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -115.95 -34.32 4.8 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.828 1.651 . . . . 0.0 113.644 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t -88.27 131.68 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.246 1.418 . . . . 0.0 110.025 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -99.85 -36.19 9.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.117 0.967 . . . . 0.0 113.277 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.21 143.91 19.44 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.053 0.941 . . . . 0.0 112.341 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.09 138.89 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.531 1.533 . . . . 0.0 108.266 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.39 123.24 29.43 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.09 0.859 . . . . 0.0 112.134 165.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -96.98 131.03 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.427 1.491 . . . . 0.0 108.494 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 m -114.19 85.23 2.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.163 1.385 . . . . 0.0 108.885 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.91 -51.66 66.84 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.973 1.309 . . . . 0.0 113.193 -167.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -67.18 -34.18 76.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.281 1.032 . . . . 0.0 111.197 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -81.88 -1.58 48.2 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.461 1.504 . . . . 0.0 112.903 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 56.85 18.7 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.474 2.71 . . . . 0.0 115.336 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.23 153.84 18.95 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.277 1.431 . . . . 0.0 113.204 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -133.92 126.22 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.331 1.853 . . . . 0.0 108.712 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.59 132.1 54.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.397 1.879 . . . . 0.0 109.323 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.02 141.66 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.402 1.081 . . . . 0.0 110.882 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -128.03 115.29 18.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.238 1.815 . . . . 0.0 110.333 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 163.4 31.84 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.819 0.848 . . . . 0.0 112.618 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -96.84 -15.43 21.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.871 2.068 . . . . 0.0 114.05 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.74 164.32 24.47 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -64.88 147.48 89.38 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.522 2.814 . . . . 0.0 116.223 -168.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -54.0 -40.21 66.75 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.122 1.769 . . . . 0.0 111.769 164.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.95 -25.04 57.04 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.667 1.587 . . . . 0.0 114.232 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -91.57 -40.0 11.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.699 0.681 . . . . 0.0 111.708 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -59.97 -42.68 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.498 -0.751 . . . . 0.0 111.66 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.52 -31.89 73.19 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.825 0.739 . . . . 0.0 112.287 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.9 -21.39 54.98 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.479 1.112 . . . . 0.0 113.918 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -67.23 -54.33 21.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.881 1.219 . . . . 0.0 109.968 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.54 -37.05 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 122.992 0.517 . . . . 0.0 111.648 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -57.52 -35.14 69.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.373 -1.454 . . . . 0.0 112.289 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -88.57 1.65 54.53 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.167 1.387 . . . . 0.0 114.368 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -84.97 -27.77 26.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 112.3 167.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -25.29 18.99 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.12 132.15 49.62 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.732 1.266 . . . . 0.0 109.818 168.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.67 132.12 48.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.699 0.681 . . . . 0.0 112.456 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.37 111.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -77.85 -33.8 52.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.198 0.599 . . . . 0.0 112.063 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -158.98 159.27 34.64 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.415 -0.803 . . . . 0.0 111.111 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.16 132.94 3.71 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 123.928 0.775 . . . . 0.0 112.5 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -146.83 153.86 40.66 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.667 1.223 . . . . 0.0 113.981 -173.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -105.35 139.36 40.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.086 1.754 . . . . 0.0 108.716 162.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.784 1.234 . . . . 0.0 111.553 -165.716 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.72 0.772 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -140.65 114.06 8.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 128.616 2.766 . . . . 0.0 108.878 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.65 144.23 51.16 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 124.17 0.988 . . . . 0.0 110.209 154.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.01 143.28 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.044 1.738 . . . . 0.0 109.51 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.85 127.38 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 126.042 1.737 . . . . 0.0 107.106 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -124.74 145.6 49.63 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.049 0.84 . . . . 0.0 110.254 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.97 44.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 119.057 -0.496 . . . . 0.0 110.148 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -139.01 102.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.888 1.675 . . . . 0.0 107.963 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -83.33 -3.96 57.99 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -158.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.29 11.78 16.76 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -171.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -41.03 -57.11 2.11 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -164.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m 71.52 -68.21 0.23 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.832 2.053 . . . . 0.0 112.547 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -94.99 -172.41 2.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 126.447 1.899 . . . . 0.0 115.57 -156.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.0 m -126.82 7.15 6.72 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.901 2.48 . . . . 0.0 112.978 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.01 -44.64 0.95 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.276 1.83 . . . . 0.0 111.171 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.79 -19.91 62.64 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -59.96 -44.97 94.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 124.998 1.319 . . . . 0.0 111.348 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -13.6 62.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.419 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -59.34 -28.3 66.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.089 1.313 . . . . 0.0 111.061 167.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.71 -45.2 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.344 0.974 . . . . 0.0 109.932 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.62 -45.15 91.59 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.383 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -50.68 -40.37 53.57 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.151 1.341 . . . . 0.0 113.368 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -79.84 -47.87 14.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.934 0.788 . . . . 0.0 112.522 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.99 -41.18 99.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.601 1.091 . . . . 0.0 112.308 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -65.41 -9.42 25.02 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.33 1.09 54.27 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.21 1.404 . . . . 0.0 113.606 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.8 mt -95.41 124.7 39.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.659 1.184 . . . . 0.0 111.536 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -63.44 112.79 2.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.156 0.982 . . . . 0.0 110.616 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.18 -31.55 4.02 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.118 1.818 . . . . 0.0 114.624 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.38 126.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.899 1.35 . . . . 0.0 110.347 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -101.83 -24.6 14.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.185 0.994 . . . . 0.0 113.068 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -160.81 144.2 13.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.48 1.512 . . . . 0.0 110.554 167.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -143.28 142.97 31.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.246 1.019 . . . . 0.0 111.635 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -162.08 -173.23 3.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.608 1.563 . . . . 0.0 110.447 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.33 167.71 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.953 2.101 . . . . 0.0 111.528 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 72.4 m -157.28 160.67 38.81 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.334 1.853 . . . . 0.0 110.09 172.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.89 32.86 5.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.067 1.347 . . . . 0.0 112.005 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.65 -45.91 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.61 1.164 . . . . 0.0 109.797 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.7 p -120.1 8.8 11.01 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.27 1.428 . . . . 0.0 112.13 162.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 66.47 75.15 0.33 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.687 2.395 . . . . 0.0 109.426 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.56 147.8 48.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.871 1.669 . . . . 0.0 112.901 -165.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 p -105.09 139.54 39.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 167.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -117.92 92.66 3.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.888 1.675 . . . . 0.0 108.191 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.33 142.58 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 112.286 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.8 m -138.04 139.35 39.54 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 126.258 1.823 . . . . 0.0 108.442 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -153.62 153.18 31.83 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 123.427 1.584 . . . . 0.0 110.935 -166.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -103.75 162.94 12.67 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.41 -1.723 . . . . 0.0 109.784 147.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.318 0.0 OUTLIER 99.64 155.11 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 130.481 3.512 . . . . 0.0 112.674 -177.576 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.75 34.33 0.06 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.203 2.201 . . . . 0.0 114.864 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.46 153.65 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.157 -1.589 . . . . 0.0 111.271 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -120.34 147.17 45.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.715 2.006 . . . . 0.0 111.623 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.73 54.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.774 1.23 . . . . 0.0 114.081 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.484 1.114 . . . . 0.0 113.245 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.8 m -71.5 -37.24 71.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.867 0.467 . . . . 0.0 110.858 167.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.71 -39.63 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.377 0.671 . . . . 0.0 109.857 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -65.95 32.49 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.994 2.117 . . . . 0.0 114.338 166.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -151.6 -42.83 0.11 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.337 2.655 . . . . 0.0 109.086 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mm -51.22 -52.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.186 0.994 . . . . 0.0 111.517 166.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.5 -23.14 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.269 1.028 . . . . 0.0 111.555 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.78 -32.44 59.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.8 -0.562 . . . . 0.0 112.178 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.43 -15.61 56.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.891 0.877 . . . . 0.0 112.778 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -70.46 -11.72 61.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.894 164.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.52 17.41 31.23 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-O 118.662 -1.076 . . . . 0.0 114.921 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -121.28 -163.52 1.05 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.887 1.343 . . . . 0.0 111.478 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.38 149.4 24.13 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.92 2.088 . . . . 0.0 109.071 -174.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.16 155.32 9.55 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -151.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -151.91 140.46 20.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.873 2.069 . . . . 0.0 108.879 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 12.2 tt -55.62 128.09 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.907 0.86 . . . . 0.0 111.871 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 tp -95.28 -54.16 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.785 1.234 . . . . 0.0 107.977 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -151.83 141.31 21.62 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.141 1.777 . . . . 0.0 111.621 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.86 32.52 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.432 3.093 . . . . 0.0 114.257 166.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.255 1.349 0 C-N-CA 129.311 3.045 . . . . 0.0 110.4 -157.802 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 120.688 0.28 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.89 129.72 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.208 1.003 . . . . 0.0 112.095 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -114.23 160.06 19.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.944 2.098 . . . . 0.0 112.624 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -108.98 135.47 50.11 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.426 1.49 . . . . 0.0 113.258 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -130.41 152.95 49.25 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.682 1.593 . . . . 0.0 111.368 168.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -147.05 126.46 13.15 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.335 -0.853 . . . . 0.0 111.383 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.26 147.88 49.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.78 1.632 . . . . 0.0 111.397 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -99.81 123.36 43.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.687 1.195 . . . . 0.0 108.992 162.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -123.32 135.67 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.977 1.311 . . . . 0.0 109.621 -172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.14 116.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.15 0.98 . . . . 0.0 109.812 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.1 mtm -137.96 125.05 21.47 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.661 1.184 . . . . 0.0 110.756 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -75.3 -45.83 37.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.794 1.238 . . . . 0.0 112.053 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -147.61 179.2 7.86 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -169.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -57.54 -24.42 55.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.741 1.616 . . . . 0.0 114.175 172.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.19 -28.45 56.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.398 -0.814 . . . . 0.0 112.21 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.16 -50.91 35.65 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.375 1.088 . . . . 0.0 111.016 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 p -67.98 -18.68 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.35 9.46 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.081 0.848 . . . . 0.0 111.509 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.22 81.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.7 0.8 . . . . 0.0 112.254 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.93 -45.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.27 0.628 . . . . 0.0 110.934 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -60.38 -37.79 81.87 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.013 0.824 . . . . 0.0 112.859 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -62.07 -45.0 95.46 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.469 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 63' ' ' THR . 10.1 t -65.14 -49.82 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 119.232 0.924 . . . . 0.0 111.817 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.71 -39.63 89.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.044 0.838 . . . . 0.0 112.383 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.7 m -60.91 -30.91 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.61 0.764 . . . . 0.0 112.234 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -60.56 -17.52 46.62 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.635 -1.29 . . . . 0.0 113.606 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -97.97 7.34 46.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.506 1.523 . . . . 0.0 114.23 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.66 -24.46 0.97 Allowed Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -59.08 -18.2 42.34 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 CA-C-N 121.874 1.705 . . . . 0.0 114.226 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -133.25 -18.5 2.26 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.022 1.329 . . . . 0.0 114.57 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -87.23 138.33 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.146 1.778 . . . . 0.0 109.923 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 p -114.81 -14.53 11.95 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -149.33 139.37 22.08 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.312 0.96 . . . . 0.0 112.824 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.8 mt -129.98 142.74 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.42 1.888 . . . . 0.0 108.627 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.18 110.32 5.0 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.372 -0.83 . . . . 0.0 112.244 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.84 144.97 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.78 1.232 . . . . 0.0 110.146 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 p -142.35 137.41 30.48 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.736 -1.227 . . . . 0.0 112.407 168.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.29 -50.44 7.85 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.49 -0.756 . . . . 0.0 110.931 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.46 -45.51 84.69 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.848 0.749 . . . . 0.0 111.792 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -96.57 0.9 50.72 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 59.91 19.78 8.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.127 2.171 . . . . 0.0 115.676 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.3 mt -94.69 149.08 21.61 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.401 1.096 . . . . 0.0 113.415 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.1 111.59 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.36 2.264 . . . . 0.0 107.875 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -106.75 130.21 54.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.16 1.384 . . . . 0.0 110.606 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.12 139.37 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.985 0.914 . . . . 0.0 111.291 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -125.46 124.96 42.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.195 1.398 . . . . 0.0 110.554 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -163.89 162.95 23.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.025 0.93 . . . . 0.0 112.842 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -86.0 -13.9 46.17 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.013 1.725 . . . . 0.0 113.351 163.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.41 145.17 97.35 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 119.819 1.19 . . . . 0.0 112.289 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.04 144.55 99.46 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.292 2.661 . . . . 0.0 113.026 173.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.77 -42.1 75.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.043 0.937 . . . . 0.0 112.198 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.12 -26.02 68.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.263 1.825 . . . . 0.0 113.29 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -81.34 -44.34 17.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.498 1.119 . . . . 0.0 110.913 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.67 -42.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -33.04 74.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.922 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.49 -29.54 64.94 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.398 1.454 . . . . 0.0 112.714 171.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -70.48 -43.2 70.26 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.418 -1.426 . . . . 0.0 112.084 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.89 -49.82 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.304 1.042 . . . . 0.0 110.468 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.09 -37.45 85.09 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.33 -0.856 . . . . 0.0 112.395 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.86 -14.3 21.12 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 25' ' ' VAL . 13.8 p -77.47 -16.52 58.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.775 1.17 . . . . 0.0 113.497 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.7 -16.05 43.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.386 1.469 . . . . 0.0 114.78 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -78.39 137.06 37.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.718 1.207 . . . . 0.0 111.196 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 161.48 30.9 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -113.98 136.98 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.955 1.702 . . . . 0.0 110.612 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.83 -37.3 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.417 1.087 . . . . 0.0 112.383 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.1 p -151.64 154.4 36.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.366 1.066 . . . . 0.0 111.528 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.16 127.12 2.32 Favored Glycine 0 N--CA 1.465 0.606 0 C-N-CA 124.357 0.98 . . . . 0.0 111.531 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -131.41 148.31 52.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.921 1.288 . . . . 0.0 112.139 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -117.16 131.56 56.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.426 2.69 . . . . 0.0 109.684 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.257 1.462 0 C-N-CA 124.86 1.264 . . . . 0.0 113.157 -169.392 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 179.85 147.81 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.419 3.087 . . . . 0.0 107.029 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.16 157.02 47.6 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 126.632 1.973 . . . . 0.0 110.352 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -159.03 142.17 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.476 1.11 . . . . 0.0 111.081 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mm -114.17 125.3 71.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.988 1.315 . . . . 0.0 107.843 170.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.18 144.29 40.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.665 0.666 . . . . 0.0 110.628 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.7 136.01 39.09 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 158.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.06 96.94 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -69.92 -22.55 63.19 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -152.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.8 -11.19 47.65 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-O 118.134 -1.37 . . . . 0.0 116.315 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm -85.16 140.39 30.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.033 1.917 . . . . 0.0 113.585 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -157.06 -17.47 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.17 1.388 . . . . 0.0 114.288 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.445 ' HB3' ' SG ' ' B' ' 16' ' ' CYS . 39.6 t -94.04 152.43 18.8 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.937 1.695 . . . . 0.0 114.215 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 18.2 m -73.94 -2.88 25.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.646 1.578 . . . . 0.0 113.859 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.01 -46.83 4.54 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.713 1.142 . . . . 0.0 112.153 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' B' ' 13' ' ' CYS . 82.4 m -56.87 -32.1 65.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.586 1.554 . . . . 0.0 113.385 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -77.16 -35.28 56.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.489 1.516 . . . . 0.0 113.303 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -25.54 67.25 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.48 1.036 . . . . 0.0 112.027 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -47.53 -42.66 23.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.491 1.516 . . . . 0.0 111.51 172.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 122.867 0.467 . . . . 0.0 110.431 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.37 -48.99 73.39 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.67 -0.644 . . . . 0.0 111.874 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 57.8 m -55.07 -36.72 65.91 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.283 1.433 . . . . 0.0 113.359 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -45.18 18.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.354 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.93 -41.39 36.51 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.68 1.127 . . . . 0.0 113.656 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.2 -24.01 66.96 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.805 1.184 . . . . 0.0 112.879 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.1 45.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 113.914 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.08 164.84 12.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.68 1.592 . . . . 0.0 112.596 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -67.9 162.23 24.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.56 1.144 . . . . 0.0 112.66 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -46.61 1.84 Allowed Glycine 0 N--CA 1.478 1.444 0 O-C-N 120.184 -1.572 . . . . 0.0 114.876 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.53 130.29 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 127.187 2.195 . . . . 0.0 111.16 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.6 p -126.69 -29.78 2.85 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.59 119.64 5.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.859 0.864 . . . . 0.0 111.029 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 73.1 m -109.38 128.05 54.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.811 1.244 . . . . 0.0 110.925 169.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -142.55 172.82 12.18 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.688 1.595 . . . . 0.0 109.894 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.29 158.93 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.637 1.975 . . . . 0.0 111.627 -171.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.0 m -124.59 130.76 53.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.438 0.695 . . . . 0.0 110.688 157.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.4 -38.26 26.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.658 1.183 . . . . 0.0 114.131 -163.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -74.81 -35.66 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-N 119.242 0.928 . . . . 0.0 111.665 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.1 p -90.06 -11.39 41.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.231 1.413 . . . . 0.0 113.573 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 69.47 37.39 2.0 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.133 1.773 . . . . 0.0 111.912 173.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.81 140.81 48.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.327 1.051 . . . . 0.0 112.729 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.01 133.46 48.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.208 1.403 . . . . 0.0 110.151 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -121.91 102.78 8.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.532 1.533 . . . . 0.0 107.652 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.8 142.21 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 0.0 112.315 -170.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -122.82 133.11 54.46 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 127.257 2.223 . . . . 0.0 108.085 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -153.47 -144.6 0.15 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 111.961 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.86 159.01 9.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.461 2.704 . . . . 0.0 111.113 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.12 18.9 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.96 2.104 . . . . 0.0 115.129 -168.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.12 -18.19 53.69 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.088 0.955 . . . . 0.0 111.696 156.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.47 151.72 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.256 1.822 . . . . 0.0 109.398 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -114.56 143.4 45.05 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.132 0.973 . . . . 0.0 113.194 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.0 -25.11 57.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.236 1.014 . . . . 0.0 113.505 169.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -70.03 -17.58 63.27 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.765 1.226 . . . . 0.0 113.49 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -92.52 -32.58 14.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.714 0.806 . . . . 0.0 111.584 166.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -58.67 -39.51 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.883 -1.136 . . . . 0.0 110.404 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -69.61 13.99 0.12 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 126.425 1.89 . . . . 0.0 114.601 172.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -123.02 -46.54 2.08 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.514 1.926 . . . . 0.0 109.56 164.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.46 -46.16 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.65 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mt -68.5 -27.59 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.55 0.74 . . . . 0.0 111.925 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.3 -30.06 25.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.912 172.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -70.09 -16.99 63.2 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 112.951 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.9 m -67.3 -29.46 69.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.746 1.218 . . . . 0.0 112.755 163.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.39 23.85 4.32 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.898 1.713 . . . . 0.0 115.754 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -115.81 -154.93 0.56 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.508 1.654 . . . . 0.0 110.724 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.51 146.68 15.24 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.137 1.775 . . . . 0.0 109.26 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -157.46 169.58 24.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -155.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.53 144.57 12.33 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.807 2.043 . . . . 0.0 109.225 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.09 107.3 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.413 0.625 . . . . 0.0 110.002 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tp -83.76 -47.13 11.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.656 1.583 . . . . 0.0 109.029 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.32 143.19 33.91 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.926 1.691 . . . . 0.0 108.441 166.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -69.94 22.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 159.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.256 1.431 0 C-N-CA 128.593 2.757 . . . . 0.0 111.797 -168.692 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 121.066 0.46 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.89 143.92 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.281 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 147.49 40.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.861 2.064 . . . . 0.0 110.558 170.04 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.88 130.73 39.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.633 1.173 . . . . 0.0 110.896 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -127.79 154.32 45.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.94 1.296 . . . . 0.0 111.546 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -138.82 134.82 33.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 110.64 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -135.83 153.35 51.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.962 1.705 . . . . 0.0 112.248 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -109.89 119.58 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.373 1.469 . . . . 0.0 111.012 169.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.87 144.32 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.574 1.149 . . . . 0.0 110.905 -166.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -88.9 90.22 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.567 1.147 . . . . 0.0 109.229 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -87.3 -40.24 14.66 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.658 1.183 . . . . 0.0 113.185 -168.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m 71.41 -27.38 0.18 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 128.351 2.66 . . . . 0.0 114.264 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -133.95 159.59 40.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.786 2.834 . . . . 0.0 110.676 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -77.89 -19.93 53.86 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.934 -1.104 . . . . 0.0 113.249 174.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.34 -19.86 77.82 Favored Glycine 0 N--CA 1.473 1.133 0 CA-C-N 119.023 0.829 . . . . 0.0 113.16 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 t -47.47 -37.96 12.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.582 1.953 . . . . 0.0 113.239 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -58.54 -28.47 65.51 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.31 -34.24 26.58 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.042 0.837 . . . . 0.0 112.909 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.96 21.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.806 1.243 . . . . 0.0 112.783 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.97 -46.7 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.66 0.784 . . . . 0.0 109.916 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -53.32 -54.08 41.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.274 0.63 . . . . 0.0 111.411 171.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -57.54 -31.82 66.47 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.13 -41.47 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.496 1.498 . . . . 0.0 111.6 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.73 -32.87 23.25 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -59.76 -20.89 59.44 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.362 1.437 . . . . 0.0 114.053 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -52.64 -21.69 4.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.308 1.043 . . . . 0.0 113.247 171.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.45 37.14 3.66 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.748 2.019 . . . . 0.0 112.871 -167.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -50.54 -33.82 9.67 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -70.78 -10.27 27.42 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.335 2.023 . . . . 0.0 114.062 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -119.66 -32.01 4.4 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.637 1.575 . . . . 0.0 112.769 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.72 129.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 126.667 1.987 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.7 p -100.17 -33.72 10.33 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -157.13 143.03 17.74 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.91 137.0 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.824 1.65 . . . . 0.0 108.593 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -136.26 131.54 34.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.733 1.213 . . . . 0.0 111.529 172.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.47 130.44 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.775 1.23 . . . . 0.0 109.827 -171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.4 m -120.46 116.7 25.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.081 0.952 . . . . 0.0 111.522 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.84 155.87 27.64 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.955 0.902 . . . . 0.0 111.951 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 78.08 -46.9 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.37 3.068 . . . . 0.0 111.04 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -73.14 -16.19 61.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.715 1.206 . . . . 0.0 112.538 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 49.65 35.94 9.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.171 2.588 . . . . 0.0 115.193 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 mt -96.04 152.49 18.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.029 1.331 . . . . 0.0 112.297 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.3 t -131.52 129.77 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.816 1.647 . . . . 0.0 108.953 169.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.69 133.23 53.37 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.532 1.933 . . . . 0.0 109.096 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.11 147.1 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.584 1.154 . . . . 0.0 111.633 -170.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.15 125.47 33.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.807 1.643 . . . . 0.0 111.985 166.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -168.49 157.18 8.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.246 1.418 . . . . 0.0 112.278 -173.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.2 p -77.87 -17.13 57.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.96 1.304 . . . . 0.0 113.275 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.98 154.76 93.25 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.448 1.099 . . . . 0.0 112.757 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -64.76 157.83 54.0 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.974 3.116 . . . . 0.0 114.016 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -55.1 -51.68 65.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.754 1.221 . . . . 0.0 112.89 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.49 -31.27 71.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.097 0.959 . . . . 0.0 112.73 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.91 -36.66 83.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 110.915 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.4 -36.29 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.026 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.18 -46.43 72.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.244 1.384 . . . . 0.0 110.764 169.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.85 -51.93 67.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 118.016 -0.993 . . . . 0.0 112.709 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.2 -22.96 61.95 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.189 1.359 . . . . 0.0 114.155 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.04 -57.53 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.577 1.08 . . . . 0.0 109.201 161.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.91 -29.17 70.37 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 113.721 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -57.07 -25.15 58.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.2 p -60.08 -20.07 56.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.064 1.346 . . . . 0.0 113.866 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.76 72.42 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.931 1.729 . . . . 0.0 113.322 -168.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -77.11 145.39 37.84 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.64 1.22 . . . . 0.0 111.305 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 165.18 19.77 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.79 1.236 . . . . 0.0 110.63 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.22 130.14 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.811 1.244 . . . . 0.0 111.127 -173.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -95.17 -41.83 8.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -160.81 165.2 30.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.776 0.83 . . . . 0.0 111.558 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.1 163.23 12.81 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 115.325 0.89 . . . . 0.0 115.325 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -159.71 164.07 34.23 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.563 1.145 . . . . 0.0 113.839 -171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -71.05 147.97 48.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.413 1.085 . . . . 0.0 109.879 157.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--O 1.251 1.153 0 C-N-CA 124.791 1.237 . . . . 0.0 112.422 179.084 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.146 0.498 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -80.94 80.98 7.32 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.44 2.296 . . . . 0.0 112.368 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.17 128.89 37.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.604 1.162 . . . . 0.0 109.413 163.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 83.0 t -142.98 142.8 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.168 1.787 . . . . 0.0 108.963 -174.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.19 121.69 60.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.78 150.26 22.03 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.421 0.688 . . . . 0.0 109.371 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.62 138.73 33.22 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 157.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.8 118.6 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.678 1.991 . . . . 0.0 105.649 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -85.74 -57.2 3.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -159.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.42 52.37 4.65 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.693 1.14 . . . . 0.0 114.479 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptm -111.02 12.89 22.04 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -172.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -89.08 2.16 54.51 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -166.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 p -83.34 -113.73 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.546 1.138 . . . . 0.0 112.261 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.6 p -146.69 -95.24 0.09 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.14 70.35 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.943 1.297 . . . . 0.0 113.71 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.7 m -53.01 -28.17 22.82 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.681 1.592 . . . . 0.0 113.166 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -69.56 -41.5 75.81 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 121.224 -0.923 . . . . 0.0 112.196 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 117.455 -1.259 . . . . 0.0 110.178 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.9 m -57.58 -30.6 65.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.059 1.3 . . . . 0.0 111.761 173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.07 -54.31 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.527 1.058 . . . . 0.0 110.071 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -53.63 -50.92 64.66 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.876 0.762 . . . . 0.0 111.869 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -44.58 -48.92 10.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 113.051 171.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -84.15 -29.03 27.01 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.06 -44.33 9.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.63 1.104 . . . . 0.0 113.631 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.14 -19.94 65.64 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.442 1.474 . . . . 0.0 112.842 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.21 -10.66 60.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.744 1.618 . . . . 0.0 114.901 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -78.72 121.55 24.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.391 1.077 . . . . 0.0 111.191 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -58.46 111.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 110.946 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.86 -27.25 6.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.687 2.089 . . . . 0.0 113.945 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.35 139.25 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.402 1.601 . . . . 0.0 109.417 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -110.63 -37.26 5.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 118.186 -0.911 . . . . 0.0 113.085 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -147.23 157.28 43.54 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.79 1.236 . . . . 0.0 112.97 -167.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.8 m -158.05 127.51 5.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.21 1.804 . . . . 0.0 112.94 -170.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.23 174.81 13.8 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.181 1.793 . . . . 0.0 111.114 168.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.38 166.88 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.499 -1.375 . . . . 0.0 113.737 -167.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -138.89 103.01 4.7 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.035 1.334 . . . . 0.0 112.072 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.05 -26.74 66.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.0 -36.16 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.117 . . . . 0.0 111.398 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -100.73 -3.95 29.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.574 -176.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.451 0.0 OUTLIER 69.76 28.23 4.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.804 2.842 . . . . 0.0 114.756 177.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -106.39 154.77 20.32 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.561 1.544 . . . . 0.0 113.812 -171.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 89.2 m -129.47 128.16 42.34 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.432 1.493 . . . . 0.0 111.042 166.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -97.18 93.74 6.72 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.833 2.053 . . . . 0.0 107.935 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -106.02 150.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 125.639 1.576 . . . . 0.0 111.554 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -141.97 125.04 16.26 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.951 0.901 . . . . 0.0 109.577 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -150.23 -157.98 0.87 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.334 1.054 . . . . 0.0 111.778 -172.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -151.16 169.43 21.9 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 129.59 3.156 . . . . 0.0 111.074 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.52 -23.5 10.64 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.377 2.271 . . . . 0.0 116.51 -162.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.5 -12.6 61.68 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.602 1.561 . . . . 0.0 115.153 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -122.79 154.77 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.264 2.226 . . . . 0.0 108.956 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -152.04 146.42 25.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 111.484 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.94 58.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.896 1.278 . . . . 0.0 113.184 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.59 -32.83 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.151 0.98 . . . . 0.0 112.972 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -87.73 -34.62 18.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.011 0.524 . . . . 0.0 111.695 173.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.55 -38.85 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.084 -1.01 . . . . 0.0 110.145 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -56.13 -14.88 3.0 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.869 . . . . 0.0 115.109 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.62 -40.23 7.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.575 1.55 . . . . 0.0 109.755 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.51 -51.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.279 1.432 . . . . 0.0 111.682 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 7.0 tt -78.08 -27.14 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.646 0.779 . . . . 0.0 112.005 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -68.39 -36.32 78.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.482 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -2.87 54.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.1 -13.65 59.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.796 0.839 . . . . 0.0 112.936 159.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.78 12.28 30.57 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.446 1.498 . . . . 0.0 115.782 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -100.16 -162.38 0.94 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.089 1.445 . . . . 0.0 110.657 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -162.05 142.14 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.257 2.623 . . . . 0.0 105.23 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -168.03 176.66 6.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -146.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.71 157.88 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.389 1.876 . . . . 0.0 110.442 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 tt -78.86 113.65 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 166.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -60.64 2.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -158.55 138.55 12.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.981 1.312 . . . . 0.0 111.517 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -69.02 78.26 0.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.092 1.357 . . . . 0.0 109.415 147.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.566 1.946 . . . . 0.0 113.474 -179.726 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.81 131.04 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 122.125 0.965 . . . . 0.0 109.439 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -115.74 153.71 30.89 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.184 2.193 . . . . 0.0 110.346 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -124.82 140.73 52.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.458 1.103 . . . . 0.0 111.503 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -145.74 144.76 30.54 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 125.152 1.381 . . . . 0.0 110.718 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -131.49 127.64 37.72 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.676 1.19 . . . . 0.0 110.048 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -121.7 144.77 48.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.703 2.001 . . . . 0.0 110.127 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.84 126.21 51.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.411 1.085 . . . . 0.0 109.491 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 t -148.42 137.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.336 1.454 . . . . 0.0 109.165 -163.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.76 127.08 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.9 mtm -138.7 124.42 19.72 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.602 0.761 . . . . 0.0 111.373 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -97.47 -158.28 0.65 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.723 1.609 . . . . 0.0 109.977 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -84.04 -141.65 0.07 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.938 1.295 . . . . 0.0 114.089 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 m -57.8 -38.49 75.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.331 1.852 . . . . 0.0 115.671 -156.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 -38.76 25.76 Favored Glycine 0 N--CA 1.473 1.138 0 CA-C-N 120.083 1.31 . . . . 0.0 111.991 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.92 -49.28 76.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.672 0.789 . . . . 0.0 110.623 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -57.73 -40.59 79.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.559 1.144 . . . . 0.0 113.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.72 -27.66 64.59 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.217 0.913 . . . . 0.0 113.565 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.58 -52.58 10.27 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.478 1.139 . . . . 0.0 111.773 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.95 -35.11 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.003 1.321 . . . . 0.0 110.858 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.67 -62.55 1.45 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.958 0.503 . . . . 0.0 111.906 168.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -56.75 -40.9 76.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 t -69.79 -28.17 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.32 0.964 . . . . 0.0 111.314 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.15 -27.18 14.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -58.62 -28.29 65.51 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.394 1.907 . . . . 0.0 113.911 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.67 -20.57 34.66 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.862 1.265 . . . . 0.0 113.316 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -93.93 -3.14 52.18 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.163 1.385 . . . . 0.0 114.432 -175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -54.22 -28.38 3.7 Favored Pre-proline 0 N--CA 1.473 0.697 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.37 -24.58 69.06 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 122.189 1.818 . . . . 0.0 113.551 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -114.89 -25.4 8.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.129 1.372 . . . . 0.0 113.313 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.55 115.04 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.994 1.717 . . . . 0.0 109.812 176.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -40.32 43.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.261 0.624 . . . . 0.0 112.297 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -152.11 119.81 6.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.7 mt -90.51 132.58 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.82 1.248 . . . . 0.0 108.712 157.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -128.33 114.0 16.32 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.363 1.065 . . . . 0.0 110.52 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.7 mt -98.57 124.96 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.268 1.427 . . . . 0.0 109.86 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -115.85 83.5 1.95 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.059 1.344 . . . . 0.0 110.47 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -55.19 -48.2 74.16 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.183 1.793 . . . . 0.0 112.722 -173.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -62.32 -48.57 79.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.421 1.089 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -66.8 -18.25 65.28 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.793 0.837 . . . . 0.0 113.199 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 72.25 21.19 3.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.606 2.362 . . . . 0.0 111.808 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.92 149.45 27.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 122.363 1.078 . . . . 0.0 113.029 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.39 129.64 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 113.386 -1.734 . . . . 0.0 108.204 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.9 127.28 45.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.977 1.311 . . . . 0.0 110.343 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.17 136.44 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.554 0.742 . . . . 0.0 111.33 -170.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -113.4 124.35 52.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.381 1.873 . . . . 0.0 111.282 167.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -168.12 165.28 13.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.462 1.105 . . . . 0.0 112.386 -173.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -79.48 -19.87 48.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.932 1.693 . . . . 0.0 112.794 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.46 156.21 90.51 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.472 1.909 . . . . 0.0 112.482 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.35 158.62 14.88 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.553 2.836 . . . . 0.0 112.963 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -48.19 -49.88 31.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.559 1.943 . . . . 0.0 113.515 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.11 -35.23 80.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 112.611 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.36 -41.9 75.94 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.741 -0.599 . . . . 0.0 111.877 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.87 -45.78 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.906 0.882 . . . . 0.0 111.138 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.35 -32.93 74.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.474 -0.774 . . . . 0.0 112.401 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.46 -43.56 98.52 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.203 0.91 . . . . 0.0 112.535 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -67.89 -30.55 69.94 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.732 1.151 . . . . 0.0 113.049 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.11 -55.04 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.693 0.678 . . . . 0.0 110.168 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -57.08 -35.21 69.11 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.197 1.399 . . . . 0.0 112.703 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -54.08 -21.43 8.47 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.206 1.802 . . . . 0.0 114.753 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -65.04 -29.19 70.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.152 1.381 . . . . 0.0 114.538 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.74 1.41 56.34 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -93.29 161.08 14.54 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.996 1.398 . . . . 0.0 112.028 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.16 139.42 35.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.615 1.566 . . . . 0.0 112.121 -168.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -112.34 128.81 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.675 1.59 . . . . 0.0 108.63 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -105.09 -38.92 6.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -158.39 173.19 17.03 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.497 1.044 . . . . 0.0 112.404 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.12 162.93 20.01 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.832 1.093 . . . . 0.0 115.832 164.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -173.52 -173.34 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.597 1.959 . . . . 0.0 112.864 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 166.09 16.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.584 1.954 . . . . 0.0 113.083 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.063 1.745 . . . . 0.0 111.693 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -154.43 136.68 14.85 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.494 2.318 . . . . 0.0 107.812 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -96.18 161.79 13.81 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 127.071 2.148 . . . . 0.0 113.604 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.91 138.14 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.405 1.882 . . . . 0.0 109.221 168.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.7 mm -122.0 125.39 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.67 140.42 48.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.6 0.76 . . . . 0.0 110.901 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.55 118.25 30.44 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.58 105.65 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.84 1.256 . . . . 0.0 108.678 -169.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -70.5 -15.38 62.79 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -161.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.09 2.68 61.63 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.499 1.523 . . . . 0.0 115.343 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtm -71.82 150.85 43.93 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.745 1.773 . . . . 0.0 113.058 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -139.48 -54.82 0.57 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.338 1.455 . . . . 0.0 113.607 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -155.77 -100.98 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -154.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.9 p -158.41 141.6 14.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 128.472 2.709 . . . . 0.0 110.273 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 72.37 -52.22 0.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.95 2.5 . . . . 0.0 112.08 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -50.31 -22.09 1.66 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.669 2.387 . . . . 0.0 113.804 167.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -100.65 -41.73 6.81 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 128.048 2.539 . . . . 0.0 112.912 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -1.65 21.72 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.054 1.297 . . . . 0.0 113.126 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -48.17 -46.46 34.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.024 1.33 . . . . 0.0 110.9 153.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.12 -48.35 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.851 0.861 . . . . 0.0 110.187 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -55.15 -51.03 67.79 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.091 0.859 . . . . 0.0 111.663 170.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 51.9 m -52.7 -39.06 61.62 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.399 1.08 . . . . 0.0 112.79 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -85.84 -50.14 7.36 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.3 -44.0 72.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.503 1.047 . . . . 0.0 112.374 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -26.76 68.05 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.678 1.126 . . . . 0.0 112.187 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.96 -10.95 59.96 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -72.72 127.31 32.18 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.356 0.98 . . . . 0.0 110.393 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.65 108.33 0.38 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.2 -17.9 21.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.539 1.542 . . . . 0.0 115.06 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.76 134.48 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.631 1.716 . . . . 0.0 109.255 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -121.48 -31.23 4.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -147.33 143.74 28.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.229 1.411 . . . . 0.0 111.456 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 60.0 m -142.95 119.93 11.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.696 1.199 . . . . 0.0 111.768 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.44 168.43 12.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.692 1.997 . . . . 0.0 111.155 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.6 139.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.346 1.859 . . . . 0.0 113.203 -167.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 m -142.53 166.67 24.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.506 1.522 . . . . 0.0 112.232 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.32 29.84 7.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 112.81 -170.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -93.71 -54.96 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 120.982 -1.074 . . . . 0.0 109.568 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.03 -7.64 39.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.004 1.721 . . . . 0.0 110.996 161.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 70.34 50.72 0.4 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.532 2.333 . . . . 0.0 109.332 -163.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.44 139.63 30.53 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.685 1.594 . . . . 0.0 113.355 -170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -106.34 134.43 49.48 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.469 1.508 . . . . 0.0 109.913 166.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -115.72 95.56 5.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.766 1.626 . . . . 0.0 108.001 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.61 142.2 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.214 1.405 . . . . 0.0 111.113 -171.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 68.2 m -126.83 131.74 51.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.692 1.997 . . . . 0.0 108.444 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.15 -164.27 1.98 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.332 1.063 . . . . 0.0 110.955 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -171.25 167.89 6.84 Favored 'General case' 0 CA--C 1.546 0.791 1 C-N-CA 132.968 4.507 . . . . 0.0 108.784 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 84.53 158.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.906 2.882 . . . . 0.0 113.213 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -44.16 -26.71 0.33 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.356 3.062 . . . . 0.0 117.491 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 p -48.16 145.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 127.253 2.221 . . . . 0.0 112.947 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -112.46 146.86 37.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.06 1.744 . . . . 0.0 112.591 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.78 58.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.114 0.965 . . . . 0.0 112.574 170.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.61 -20.88 66.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.127 1.371 . . . . 0.0 112.899 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -83.93 -38.08 21.5 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.959 -1.088 . . . . 0.0 111.475 168.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.48 -39.01 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.274 -0.891 . . . . 0.0 109.997 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.33 -4.01 0.12 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 128.956 2.902 . . . . 0.0 115.644 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -126.08 -39.18 2.1 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.613 1.965 . . . . 0.0 110.154 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.75 -39.42 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.117 -0.99 . . . . 0.0 111.234 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 tp -61.52 -25.86 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.137 -0.977 . . . . 0.0 112.238 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.61 -26.8 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -73.74 -21.57 60.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.782 0.719 . . . . 0.0 112.911 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 58.9 m -74.67 -13.93 60.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.651 0.78 . . . . 0.0 112.685 164.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.55 25.59 15.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.573 1.082 . . . . 0.0 115.149 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -123.56 -155.04 0.64 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.201 1.401 . . . . 0.0 109.872 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -168.53 158.95 9.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.98 2.112 . . . . 0.0 110.78 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -150.36 -173.27 4.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.754 1.222 . . . . 0.0 112.409 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -133.54 25.66 4.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.752 0.821 . . . . 0.0 110.107 162.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ILE . . . . . 0.517 HG22 ' H ' ' B' ' 69' ' ' LEU 0.34 41.8 mm 49.98 -155.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -147.069 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.517 ' H ' HG22 ' B' ' 68' ' ' ILE 0.274 0.1 OUTLIER -154.83 -43.25 0.09 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.123 1.369 . . . . 0.0 111.146 163.634 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -167.41 146.03 4.89 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 122.726 1.25 . . . . 0.0 111.537 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.08 28.46 0.51 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.519 2.327 . . . . 0.0 113.128 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.489 1.477 0 C-N-CA 130.26 3.424 . . . . 0.0 111.651 -173.147 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.9 mt 57.02 123.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 128.871 2.869 . . . . 0.0 112.838 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -96.43 149.94 21.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.698 -1.251 . . . . 0.0 110.884 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.71 138.16 44.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.844 1.258 . . . . 0.0 109.261 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -138.17 153.57 49.19 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 125.081 1.353 . . . . 0.0 110.706 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -143.79 133.87 24.23 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.972 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -126.65 142.02 51.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.121 1.368 . . . . 0.0 111.048 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.06 121.18 31.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.509 1.524 . . . . 0.0 108.718 167.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 135.82 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.204 1.002 . . . . 0.0 109.708 -165.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.14 119.77 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.271 0.628 . . . . 0.0 110.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -145.34 107.1 4.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.86 0.864 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.4 m -63.1 -56.81 13.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.641 0.776 . . . . 0.0 111.05 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.75 175.2 9.02 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.543 1.537 . . . . 0.0 113.591 -162.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.89 -5.79 40.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.364 -0.835 . . . . 0.0 112.449 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 -28.64 43.47 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.889 1.709 . . . . 0.0 112.771 166.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.39 -55.42 15.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.464 1.632 . . . . 0.0 110.362 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.22 -34.71 75.55 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -41.26 94.9 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.209 -0.773 . . . . 0.0 112.959 175.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.38 70.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.576 1.15 . . . . 0.0 111.777 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.9 -49.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.17 -43.81 87.64 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.744 -0.597 . . . . 0.0 112.326 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.01 -30.14 70.63 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.728 1.149 . . . . 0.0 113.725 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.62 -43.35 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.277 -0.889 . . . . 0.0 111.388 167.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.08 -21.96 29.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 p -59.39 -24.64 63.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.954 1.706 . . . . 0.0 112.774 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.61 -15.08 24.53 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.499 1.12 . . . . 0.0 113.483 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.9 mt -109.98 5.64 22.46 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.968 1.707 . . . . 0.0 114.555 -173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.09 -28.85 2.45 Favored Pre-proline 0 N--CA 1.477 0.889 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -62.06 -16.9 53.17 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 CA-C-N 121.849 1.696 . . . . 0.0 114.975 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.42 -31.62 2.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.165 1.386 . . . . 0.0 113.098 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.84 125.45 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.69 1.596 . . . . 0.0 109.25 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -91.82 -39.41 11.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -154.48 120.43 5.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.653 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.2 mt -108.3 136.93 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.013 1.325 . . . . 0.0 108.861 171.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -144.51 122.55 12.1 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.647 -0.658 . . . . 0.0 111.822 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -98.96 142.25 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.551 0.691 . . . . 0.0 111.066 -174.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -121.06 85.98 2.5 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.256 1.823 . . . . 0.0 108.495 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.64 -34.88 76.49 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.166 0.987 . . . . 0.0 113.656 -168.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.82 -49.5 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.038 0.835 . . . . 0.0 110.795 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.27 7.54 9.29 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.363 1.065 . . . . 0.0 113.785 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 56.06 37.04 28.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.735 1.614 . . . . 0.0 114.739 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.275 3.8 pp -130.93 158.53 39.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.88 129.87 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.79 1.636 . . . . 0.0 109.653 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.29 131.95 51.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.054 1.742 . . . . 0.0 111.184 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.2 141.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.956 1.303 . . . . 0.0 110.611 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.59 129.74 53.04 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.689 1.596 . . . . 0.0 109.693 163.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -169.34 161.14 9.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.091 0.956 . . . . 0.0 113.202 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.6 p -72.75 -27.26 61.92 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.406 2.282 . . . . 0.0 112.987 164.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.14 150.58 97.38 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.448 1.499 . . . . 0.0 113.062 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.71 153.71 30.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.31 2.673 . . . . 0.0 112.74 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -50.94 -46.48 60.98 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.95 1.7 . . . . 0.0 113.048 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.37 -44.83 92.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.44 1.496 . . . . 0.0 112.499 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.43 -31.42 69.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.865 0.466 . . . . 0.0 111.972 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.92 -43.31 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.568 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.14 -49.1 64.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.323 0.965 . . . . 0.0 110.825 171.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.8 -53.05 62.09 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.552 1.141 . . . . 0.0 112.913 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.67 -30.98 71.79 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.267 1.394 . . . . 0.0 113.344 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.51 -56.23 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.429 1.013 . . . . 0.0 109.7 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -60.94 -32.37 71.89 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -53.16 -24.16 9.98 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 172.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.6 p -63.87 -23.01 67.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.15 87.15 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.906 1.241 . . . . 0.0 113.928 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -87.36 143.83 27.06 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.269 1.035 . . . . 0.0 109.86 162.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -84.8 142.87 29.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.831 0.853 . . . . 0.0 112.018 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.14 126.62 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.679 1.192 . . . . 0.0 109.571 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 mtp-105 -93.26 -42.91 9.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.503 1.121 . . . . 0.0 112.633 -171.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 p -165.41 167.9 17.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.82 1.248 . . . . 0.0 111.824 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.79 159.94 23.96 Favored Glycine 0 C--N 1.343 0.917 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -135.27 160.21 39.12 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 113.71 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -93.21 127.46 38.79 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.375 1.47 . . . . 0.0 109.476 163.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.249 1.078 0 C-N-CA 125.194 1.398 . . . . 0.0 112.304 -168.359 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -173.31 159.99 3.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.301 2.24 . . . . 0.0 106.889 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -134.61 153.33 52.02 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 127.099 2.16 . . . . 0.0 110.566 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -169.74 130.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 110.917 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.437 HG22 HD23 ' B' ' 69' ' ' LEU . 17.4 mt -107.76 124.08 63.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 163.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -116.91 142.25 47.19 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.588 0.755 . . . . 0.0 110.335 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 142.98 40.07 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.44 98.48 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -76.58 -6.39 51.73 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -155.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.71 4.03 29.16 Favored Glycine 0 N--CA 1.469 0.838 0 CA-C-O 118.197 -1.335 . . . . 0.0 115.632 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.94 136.95 36.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.197 1.998 . . . . 0.0 112.573 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.5 m -140.54 -39.25 0.43 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 111.674 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -114.07 164.13 14.24 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -163.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.4 m -78.77 2.29 20.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.295 1.438 . . . . 0.0 114.131 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.04 -59.62 1.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.165 0.893 . . . . 0.0 110.791 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.97 -18.28 62.63 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -170.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -67.91 -51.99 41.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.771 1.229 . . . . 0.0 111.616 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -19.68 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.846 1.203 . . . . 0.0 112.089 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -56.78 -35.22 68.44 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.235 0.925 . . . . 0.0 110.785 166.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.15 -53.61 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.399 1.0 . . . . 0.0 109.571 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -55.6 -46.81 77.26 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.173 0.897 . . . . 0.0 112.987 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -59.63 -41.77 91.22 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.557 1.072 . . . . 0.0 112.913 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.55 -31.13 62.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.973 1.26 . . . . 0.0 112.964 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.73 -45.02 69.11 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.738 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -49.42 -26.42 3.27 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.86 55.05 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.77 7.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 -167.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt 43.46 25.45 0.08 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.369 2.667 . . . . 0.0 116.61 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.19 -21.66 0.17 Allowed Glycine 0 N--CA 1.472 1.059 0 C-N-CA 125.165 1.364 . . . . 0.0 116.138 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -77.64 136.03 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.784 1.792 . . . . 0.0 109.254 172.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -110.46 -30.26 7.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.212 1.405 . . . . 0.0 112.398 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -157.34 147.37 20.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.283 1.833 . . . . 0.0 109.84 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.86 148.94 28.42 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.7 172.24 13.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.084 1.754 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -143.25 144.4 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 127.326 2.25 . . . . 0.0 109.113 -172.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 42.6 m -129.48 115.7 17.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.02 0.528 . . . . 0.0 110.573 162.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.14 -32.94 67.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.265 1.426 . . . . 0.0 114.432 -173.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.99 -37.0 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.087 0.858 . . . . 0.0 111.037 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.2 p -87.14 -19.86 27.88 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.565 1.546 . . . . 0.0 112.715 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.73 37.22 0.31 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.851 2.46 . . . . 0.0 112.23 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -118.6 152.22 36.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.708 1.603 . . . . 0.0 113.605 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 80.4 m -113.52 133.71 55.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.492 1.517 . . . . 0.0 110.026 166.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -114.45 94.24 4.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.142 1.777 . . . . 0.0 108.348 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.0 132.67 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.752 1.621 . . . . 0.0 111.547 -165.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 83.4 m -128.61 115.79 18.62 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.81 1.644 . . . . 0.0 108.136 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -135.06 -157.01 0.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.084 1.354 . . . . 0.0 112.309 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.58 163.39 19.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.294 2.238 . . . . 0.0 112.193 -160.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -6.42 2.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.413 2.285 . . . . 0.0 116.269 -165.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.31 -4.72 54.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.464 1.105 . . . . 0.0 113.091 168.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -149.05 163.29 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.496 1.498 . . . . 0.0 112.129 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.6 p -127.98 152.87 47.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.768 1.627 . . . . 0.0 112.238 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.29 69.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.73 0.812 . . . . 0.0 112.767 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.58 -35.09 78.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.72 0.808 . . . . 0.0 111.46 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 63.0 m -69.75 -39.52 76.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.835 0.854 . . . . 0.0 111.786 171.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.81 -44.78 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.554 -0.716 . . . . 0.0 109.792 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.87 11.81 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.257 2.223 . . . . 0.0 115.147 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -134.75 -42.53 0.75 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.275 1.83 . . . . 0.0 109.188 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 mm -53.32 -46.72 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.844 1.258 . . . . 0.0 112.251 165.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.81 -25.7 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.037 0.935 . . . . 0.0 112.194 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -74.25 -36.55 63.87 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -78.19 -0.8 29.85 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 170.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 95.8 m -85.0 -12.66 52.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.873 0.869 . . . . 0.0 113.219 166.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.95 22.46 9.33 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.42 -160.24 0.82 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.076 1.35 . . . . 0.0 111.18 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -154.67 154.64 33.26 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 129.154 2.982 . . . . 0.0 107.911 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.45 170.13 23.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -156.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -155.4 144.02 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.183 1.393 . . . . 0.0 109.312 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 tt -77.41 103.58 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.437 HD23 HG22 ' B' ' 5' ' ' ILE . 0.4 OUTLIER -85.3 -53.53 5.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.341 1.857 . . . . 0.0 110.078 -158.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -151.74 136.25 16.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.483 1.913 . . . . 0.0 108.138 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.06 15.0 0.6 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.485 1.317 0 C-N-CA 127.671 2.389 . . . . 0.0 114.051 -171.359 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -69.8 129.24 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.675 0.75 . . . . 0.0 110.542 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -106.54 153.46 22.29 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.271 2.228 . . . . 0.0 111.184 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.96 134.79 48.51 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 111.548 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -128.32 146.87 50.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.968 1.307 . . . . 0.0 110.859 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -136.41 131.1 33.7 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.821 0.849 . . . . 0.0 111.183 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -127.84 142.01 51.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.405 1.482 . . . . 0.0 110.94 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -105.67 122.69 46.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.675 1.59 . . . . 0.0 108.196 168.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.71 144.08 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.388 0.994 . . . . 0.0 111.044 -159.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.46 120.76 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.0 0.92 . . . . 0.0 109.988 171.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.84 97.45 2.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.418 1.087 . . . . 0.0 111.359 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -64.7 -41.67 95.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.189 1.796 . . . . 0.0 113.809 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -157.91 178.03 10.68 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.205 1.402 . . . . 0.0 113.621 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -66.41 -12.31 56.38 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.103 0.961 . . . . 0.0 113.519 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.26 -30.64 10.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.772 1.653 . . . . 0.0 112.797 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -64.36 -52.07 60.16 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.288 1.035 . . . . 0.0 110.751 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -60.09 -39.65 86.87 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.727 -0.608 . . . . 0.0 112.045 171.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.03 95.75 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.033 0.833 . . . . 0.0 113.521 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -46.08 69.37 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.069 0.934 . . . . 0.0 112.025 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -58.84 -44.65 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.678 -0.639 . . . . 0.0 110.498 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.51 -37.19 75.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.582 1.153 . . . . 0.0 112.586 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.99 -30.01 71.27 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.005 -1.06 . . . . 0.0 112.964 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 t -71.29 -56.72 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.194 0.906 . . . . 0.0 110.98 169.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.93 -29.56 69.46 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -62.91 -18.62 63.28 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.606 1.162 . . . . 0.0 113.874 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.15 -10.52 54.78 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.868 -1.145 . . . . 0.0 113.415 172.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.96 6.62 31.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.339 1.456 . . . . 0.0 113.68 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -54.44 -21.93 0.65 Allowed Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -62.74 -21.17 72.77 Favored 'Trans proline' 0 C--N 1.353 0.796 0 CA-C-N 122.768 2.024 . . . . 0.0 113.582 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -122.68 -29.71 3.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.411 1.484 . . . . 0.0 113.055 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.96 120.31 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.791 1.637 . . . . 0.0 109.626 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -83.04 -41.93 18.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -151.15 131.22 13.45 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.76 138.4 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.345 2.258 . . . . 0.0 110.003 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -142.83 110.47 5.82 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.099 0.959 . . . . 0.0 112.098 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.74 129.01 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.386 1.474 . . . . 0.0 110.509 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -120.44 100.01 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.221 1.408 . . . . 0.0 112.308 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.57 148.87 38.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.96 1.304 . . . . 0.0 110.791 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 75.27 -41.86 0.46 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.954 2.502 . . . . 0.0 110.876 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.76 -30.02 68.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.863 1.665 . . . . 0.0 112.763 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 79.89 8.96 1.5 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.363 2.665 . . . . 0.0 113.572 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.72 154.65 18.14 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.116 -0.99 . . . . 0.0 113.427 -169.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.39 132.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.395 1.878 . . . . 0.0 108.884 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.76 129.13 54.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.799 1.64 . . . . 0.0 110.421 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -130.51 143.63 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.633 1.173 . . . . 0.0 111.266 -173.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.02 129.64 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.448 1.499 . . . . 0.0 111.578 166.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 t -170.12 163.76 9.18 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.508 1.123 . . . . 0.0 112.827 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.9 p -86.37 -13.47 46.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.462 1.905 . . . . 0.0 113.335 167.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.81 150.43 96.38 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.026 0.93 . . . . 0.0 112.983 -172.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.75 143.24 81.2 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.668 2.912 . . . . 0.0 112.82 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.0 -45.92 90.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.97 0.908 . . . . 0.0 112.328 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.57 -29.67 70.69 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -67.83 -38.26 82.99 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.483 0.583 . . . . 0.0 111.139 174.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.37 -41.27 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.445 -0.785 . . . . 0.0 111.493 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.13 -49.5 75.74 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.089 0.858 . . . . 0.0 110.913 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.53 -39.46 87.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.898 0.879 . . . . 0.0 112.908 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -68.61 -27.49 66.08 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.042 -1.037 . . . . 0.0 112.876 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -81.99 -55.98 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.453 1.101 . . . . 0.0 110.88 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.25 -41.94 72.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.93 1.292 . . . . 0.0 112.528 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.02 8.57 3.7 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -74.13 -13.13 60.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 167.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -0.6 78.46 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.464 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.58 151.49 19.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.527 1.164 . . . . 0.0 109.319 162.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -93.29 140.89 29.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.782 -0.574 . . . . 0.0 111.976 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 p -94.11 110.42 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.662 1.185 . . . . 0.0 108.327 169.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.0 -37.31 86.95 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.6 1.96 . . . . 0.0 111.497 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -169.7 144.69 2.93 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.287 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.44 144.32 15.18 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 125.585 1.564 . . . . 0.0 112.883 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -144.86 147.53 32.91 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.96 126.51 34.76 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 126.207 1.803 . . . . 0.0 109.76 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.001 1.32 . . . . 0.0 111.951 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.443 0.163 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.17 89.58 1.52 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 127.692 2.397 . . . . 0.0 109.601 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.62 140.73 56.13 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.667 1.187 . . . . 0.0 110.392 163.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 85.2 t -153.95 133.77 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.229 2.212 . . . . 0.0 108.662 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.405 HG22 HD23 ' B' ' 69' ' ' LEU . 18.6 mm -119.39 128.44 75.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 124.811 1.245 . . . . 0.0 107.859 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.0 145.01 50.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.156 0.583 . . . . 0.0 111.07 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.57 148.13 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.349 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 t -137.55 110.07 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.96 1.304 . . . . 0.0 109.361 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -99.82 70.38 1.62 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.94 1.296 . . . . 0.0 112.458 -168.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.44 37.26 0.03 OUTLIER Glycine 0 N--CA 1.475 1.275 0 N-CA-C 116.237 1.255 . . . . 0.0 116.237 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.2 mtp -68.39 -37.61 80.54 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -165.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.506 HG23 ' H ' ' B' ' 13' ' ' CYS 0.405 5.9 t 54.97 -124.68 2.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.57 2.348 . . . . 0.0 115.546 170.206 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.506 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 m -79.97 172.45 13.76 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -154.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -64.7 -34.94 79.48 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.728 1.211 . . . . 0.0 113.604 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.26 -40.86 15.11 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 112.329 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.8 -40.27 69.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.52 1.928 . . . . 0.0 113.544 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.72 -45.09 94.38 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 125.609 1.564 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.83 46.4 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.223 0.92 . . . . 0.0 113.336 -173.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -49.69 -36.02 23.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.252 1.021 . . . . 0.0 110.655 165.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 86.2 mt -57.75 -52.32 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.525 0.73 . . . . 0.0 110.396 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.64 -50.67 72.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 112.193 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -53.22 -36.92 61.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.402 1.081 . . . . 0.0 112.934 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.67 -54.55 4.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.614 0.766 . . . . 0.0 112.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.1 -41.28 74.25 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.161 0.891 . . . . 0.0 112.501 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -71.71 1.14 7.25 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -0.08 33.65 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.339 1.855 . . . . 0.0 114.489 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -83.1 3.9 28.61 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 69.07 155.01 0.12 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 128.673 2.789 . . . . 0.0 113.43 -173.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 -32.56 0.62 Allowed Glycine 0 N--CA 1.48 1.588 0 C-N-CA 126.616 2.055 . . . . 0.0 114.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 p -43.85 129.36 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 128.608 2.763 . . . . 0.0 113.289 167.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -112.08 -38.78 4.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.079 1.352 . . . . 0.0 112.462 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.77 153.43 43.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.684 1.593 . . . . 0.0 111.45 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -159.46 100.13 1.48 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.473 1.509 . . . . 0.0 109.114 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.68 171.99 7.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.301 1.841 . . . . 0.0 110.385 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -143.09 166.44 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.18 1.792 . . . . 0.0 111.809 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 41.8 t -145.71 129.36 17.09 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.096 0.959 . . . . 0.0 111.044 163.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.98 -39.72 63.47 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.904 0.882 . . . . 0.0 111.888 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.28 -36.01 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.993 0.815 . . . . 0.0 111.733 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -112.5 10.99 19.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.363 1.065 . . . . 0.0 113.529 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 49.6 52.71 14.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.789 2.436 . . . . 0.0 114.236 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -135.48 156.7 48.47 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.85 134.37 54.4 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.051 1.74 . . . . 0.0 109.125 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -113.83 96.63 5.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.151 1.78 . . . . 0.0 107.152 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.76 133.82 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.145 0.978 . . . . 0.0 112.115 -171.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.5 m -133.37 138.08 46.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.308 1.443 . . . . 0.0 108.659 -164.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -156.93 131.19 8.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.804 1.241 . . . . 0.0 110.57 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.64 -47.95 79.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.473 1.109 . . . . 0.0 111.179 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -169.95 -150.49 0.08 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.459 2.304 . . . . 0.0 110.505 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 65.26 -35.34 0.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 131.493 3.917 . . . . 0.0 116.059 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.01 162.95 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.501 1.92 . . . . 0.0 110.843 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -132.66 145.09 50.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.7 2.0 . . . . 0.0 110.939 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.92 -30.46 61.68 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.094 1.358 . . . . 0.0 113.392 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.19 -38.73 92.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.455 0.702 . . . . 0.0 112.39 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.7 m -72.72 -39.22 67.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.731 0.412 . . . . 0.0 110.98 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 85.8 mt -56.66 -47.85 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.504 0.722 . . . . 0.0 110.066 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -64.1 -9.18 14.94 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.755 1.622 . . . . 0.0 114.111 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -100.32 -48.13 4.69 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 120.546 -1.346 . . . . 0.0 108.86 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 12.0 mm -56.5 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 112.523 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.17 -25.31 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.42 0.688 . . . . 0.0 111.947 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.87 -28.68 19.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 119.339 -0.362 . . . . 0.0 111.767 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -62.06 -29.49 70.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.549 0.739 . . . . 0.0 110.662 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.77 -33.24 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.784 1.634 . . . . 0.0 114.508 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 14.98 20.85 Favored Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.691 1.139 . . . . 0.0 115.285 -164.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.94 -163.2 0.97 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.592 1.196 . . . . 0.0 110.724 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -156.55 144.4 19.4 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 128.379 2.672 . . . . 0.0 107.617 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 18.9 p -160.97 169.33 22.78 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -162.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -155.4 148.96 25.14 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.449 2.3 . . . . 0.0 107.759 166.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.26 124.44 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.405 HD23 HG22 ' B' ' 5' ' ' ILE . 1.3 tp -99.13 -49.99 4.3 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.803 1.241 . . . . 0.0 109.598 -164.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -155.07 150.96 27.8 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.978 1.711 . . . . 0.0 110.351 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.87 19.41 0.86 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.763 2.425 . . . . 0.0 114.444 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 130.819 3.648 . . . . 0.0 112.195 -175.113 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 CA--C 1.539 0.557 0 CA-C-O 121.543 0.687 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.2 mt -54.01 138.17 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.685 1.194 . . . . 0.0 111.153 166.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -103.57 151.7 22.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.865 1.266 . . . . 0.0 110.589 171.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -111.43 126.81 55.35 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 110.449 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -120.84 143.89 48.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.705 1.202 . . . . 0.0 111.518 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -134.27 130.92 37.81 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.664 0.785 . . . . 0.0 110.146 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -124.53 153.06 42.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.64 1.976 . . . . 0.0 111.468 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -101.77 123.72 46.2 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.538 1.535 . . . . 0.0 109.979 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.66 136.85 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.122 1.369 . . . . 0.0 110.367 -167.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.45 118.58 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.684 0.794 . . . . 0.0 111.596 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.1 mtm -145.37 135.04 23.41 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -175.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -84.37 -29.67 26.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.714 2.006 . . . . 0.0 115.554 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.2 p -166.58 165.64 16.61 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 -161.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -67.78 -16.5 64.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.59 -41.94 34.26 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.744 1.164 . . . . 0.0 111.123 169.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -58.51 -52.13 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.871 0.868 . . . . 0.0 110.949 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.7 p -66.54 -24.53 66.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.46 -42.77 47.49 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.245 0.929 . . . . 0.0 112.089 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.23 72.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.469 1.108 . . . . 0.0 111.71 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.43 -50.6 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.419 0.687 . . . . 0.0 110.202 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.53 -38.69 69.59 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.517 0.599 . . . . 0.0 112.518 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.95 -32.72 74.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 HG22 ' A' ' 63' ' ' THR . 18.7 t -67.35 -37.48 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.877 1.217 . . . . 0.0 110.906 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.59 -22.23 62.58 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.5 m -55.66 -26.58 45.37 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.455 1.502 . . . . 0.0 113.202 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.6 -24.74 34.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.44 1.496 . . . . 0.0 113.395 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -105.49 2.95 28.97 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.113 1.765 . . . . 0.0 113.974 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -53.43 -23.43 0.83 Allowed Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.37 -27.41 84.81 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 122.521 1.936 . . . . 0.0 113.454 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -121.82 -23.75 5.41 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.29 1.436 . . . . 0.0 114.177 -175.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.7 125.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.79 1.636 . . . . 0.0 109.516 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -81.95 -35.28 29.23 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -159.54 137.09 9.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 113.727 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.2 136.08 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.181 1.792 . . . . 0.0 109.285 163.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -143.89 119.24 10.24 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.61 1.164 . . . . 0.0 111.349 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.31 137.57 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.904 0.881 . . . . 0.0 110.988 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -114.88 87.03 2.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.223 1.809 . . . . 0.0 109.547 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.09 -45.32 83.45 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.484 1.114 . . . . 0.0 113.706 -167.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -67.1 -27.62 67.49 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -93.45 -4.23 51.63 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.024 0.93 . . . . 0.0 112.622 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 59.34 29.34 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.338 2.255 . . . . 0.0 113.184 -176.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.28 152.81 21.09 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 112.868 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.95 129.59 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.345 1.858 . . . . 0.0 109.379 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -113.99 134.43 54.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.764 1.626 . . . . 0.0 111.687 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.88 143.94 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.088 1.355 . . . . 0.0 110.879 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -125.04 120.49 31.65 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.883 1.673 . . . . 0.0 110.76 169.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -169.22 172.47 7.31 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 p -106.78 6.19 29.31 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.169 2.988 . . . . 0.0 113.127 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.8 159.96 79.93 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.485 1.114 . . . . 0.0 111.577 171.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -65.56 146.94 85.96 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.4 2.734 . . . . 0.0 113.69 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -53.13 -54.17 39.66 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.73 -27.5 64.01 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 112.927 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 59' ' ' LYS . 68.3 t80 -65.45 -39.29 91.86 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.77 -0.581 . . . . 0.0 110.983 172.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.4 mm -68.88 -40.73 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.487 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.45 -43.69 79.75 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.638 1.108 . . . . 0.0 111.309 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 32.0 mt-10 -62.48 -43.51 98.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.141 0.976 . . . . 0.0 113.278 175.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 mmtt -72.8 -19.46 61.33 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.988 1.267 . . . . 0.0 113.034 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -73.14 -53.44 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.126 -0.984 . . . . 0.0 110.167 164.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 44.8 mtmt -57.43 -31.86 66.32 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.45 1.023 . . . . 0.0 113.348 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -31.98 22.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.38 1.472 . . . . 0.0 113.89 170.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 HG21 ' A' ' 25' ' ' VAL . 44.1 p -63.11 -16.38 59.79 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.833 1.253 . . . . 0.0 114.191 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.92 -0.11 83.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.578 1.085 . . . . 0.0 114.06 -173.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.69 165.91 11.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.122 1.369 . . . . 0.0 111.41 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.87 137.46 33.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.949 1.7 . . . . 0.0 112.527 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.23 136.18 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.448 1.499 . . . . 0.0 109.199 163.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -101.63 -40.0 7.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.844 1.258 . . . . 0.0 113.587 -173.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 p -159.8 161.84 34.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.419 1.008 . . . . 0.0 111.265 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.03 154.48 17.2 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.26 167.26 29.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.584 1.554 . . . . 0.0 113.551 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.2 142.97 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.81 0.844 . . . . 0.0 110.655 158.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.942 -174.769 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -70.08 95.88 1.01 Allowed 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 127.987 2.515 . . . . 0.0 109.983 -173.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.94 137.15 58.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.855 156.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.0 144.72 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.677 0.751 . . . . 0.0 110.714 161.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -119.24 129.82 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.191 1.796 . . . . 0.0 107.29 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.31 142.68 48.88 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.469 0.577 . . . . 0.0 111.004 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 118.53 22.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.822 168.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.55 101.99 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.669 1.122 . . . . 0.0 108.672 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -75.92 -32.23 59.5 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.479 0.712 . . . . 0.0 112.81 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.2 -7.2 68.0 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.941 1.258 . . . . 0.0 115.664 -168.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.2 ptm -71.09 161.4 31.18 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.418 1.609 . . . . 0.0 111.675 173.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -140.67 -16.28 0.9 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 165.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 p -137.47 170.25 16.4 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -172.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -86.36 -1.97 58.01 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.51 -47.68 6.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.442 1.097 . . . . 0.0 112.743 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.81 -29.03 69.97 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.927 0.891 . . . . 0.0 112.834 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -29.76 68.23 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.34 1.056 . . . . 0.0 112.576 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -20.02 65.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.928 1.24 . . . . 0.0 112.426 174.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -57.3 -32.17 66.4 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.931 1.241 . . . . 0.0 110.842 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.77 -50.52 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.478 0.581 . . . . 0.0 109.742 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -59.17 -51.13 71.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -54.44 -38.94 66.9 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.314 1.415 . . . . 0.0 113.944 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.81 -33.51 24.92 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.747 1.158 . . . . 0.0 113.406 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.3 mt -80.47 -39.71 27.55 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.575 1.08 . . . . 0.0 112.686 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -61.94 -7.36 3.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.981 1.313 . . . . 0.0 113.661 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.99 -33.36 14.17 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.299 2.9 pp -83.54 17.48 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 117.614 2.45 . . . . 0.0 117.614 -160.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt 69.29 27.23 5.15 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.811 2.044 . . . . 0.0 114.296 167.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.62 -16.08 0.46 Allowed Glycine 0 N--CA 1.478 1.454 0 N-CA-C 117.768 1.867 . . . . 0.0 117.768 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.28 137.74 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.607 1.963 . . . . 0.0 110.789 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 43.6 p -93.46 -40.48 10.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.076 0.951 . . . . 0.0 111.85 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -161.36 157.55 25.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.148 1.379 . . . . 0.0 112.26 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -152.19 104.64 2.98 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.476 1.91 . . . . 0.0 110.253 -175.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -107.05 -176.49 3.09 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 110.778 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -156.16 139.4 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.357 1.463 . . . . 0.0 110.233 -175.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 65.1 m -114.15 109.25 18.11 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.041 0.936 . . . . 0.0 109.327 167.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.56 -35.64 73.19 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.681 1.592 . . . . 0.0 115.008 -163.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.1 t -73.4 -35.27 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.976 0.807 . . . . 0.0 112.072 -178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 10.3 p -96.34 -9.14 30.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.623 1.569 . . . . 0.0 113.325 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.12 30.99 13.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.302 2.241 . . . . 0.0 113.094 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -84.48 118.74 24.48 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.007 1.323 . . . . 0.0 109.763 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.48 122.23 30.94 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 165.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -119.54 90.22 3.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -164.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -122.17 148.39 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.182 1.393 . . . . 0.0 112.706 -167.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -141.66 117.81 10.67 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.313 1.445 . . . . 0.0 108.778 -167.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.58 -158.47 0.92 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.357 1.063 . . . . 0.0 110.914 -164.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -153.84 176.34 12.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.711 1.604 . . . . 0.0 113.52 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -41.17 -32.65 0.29 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 128.778 2.831 . . . . 0.0 116.294 -170.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.4 -35.62 3.77 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.738 2.415 . . . . 0.0 113.795 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.28 156.58 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.708 1.203 . . . . 0.0 111.014 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 154.07 37.95 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.955 1.702 . . . . 0.0 111.204 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.14 -31.57 63.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.362 1.065 . . . . 0.0 112.443 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.37 -33.49 73.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.92 0.888 . . . . 0.0 112.438 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m -85.15 -31.35 23.32 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.271 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.03 -40.66 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 172.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.6 2.45 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.468 1.907 . . . . 0.0 115.568 167.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -110.81 -46.55 3.34 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.537 1.135 . . . . 0.0 109.373 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -56.81 -48.57 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.075 1.35 . . . . 0.0 112.685 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.9 -24.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.047 -1.033 . . . . 0.0 110.936 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -88.81 -26.06 21.89 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.267 2.7 p30 -89.72 -5.98 56.49 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.052 1.296 . . . . 0.0 114.215 172.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 78.0 m -76.03 -22.35 55.84 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.986 153.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.25 16.3 12.53 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.537 1.541 . . . . 0.0 116.636 175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -98.3 -148.37 0.33 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.986 1.893 . . . . 0.0 110.742 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -160.44 155.38 24.37 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.105 1.362 . . . . 0.0 108.534 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -166.64 165.79 16.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.62 158.46 43.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.346 1.858 . . . . 0.0 109.878 161.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.93 113.81 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tp -92.82 -44.37 8.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.828 1.251 . . . . 0.0 109.686 -165.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -157.81 156.34 31.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.425 2.29 . . . . 0.0 109.264 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.99 18.36 2.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.829 2.051 . . . . 0.0 112.578 166.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.255 1.373 1 C-N-CA 132.9 4.48 . . . . 0.0 109.281 -165.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.45 114.5 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.543 1.137 . . . . 0.0 110.5 172.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -104.65 156.56 17.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.653 1.181 . . . . 0.0 111.445 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -104.85 142.16 35.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.281 1.032 . . . . 0.0 112.072 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.3 149.23 42.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.604 1.561 . . . . 0.0 110.853 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -141.77 133.47 27.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.711 0.805 . . . . 0.0 111.488 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -127.71 142.1 51.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.247 1.419 . . . . 0.0 111.312 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.24 124.46 36.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.397 1.079 . . . . 0.0 108.995 161.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.42 139.28 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.718 1.207 . . . . 0.0 109.754 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -72.24 115.03 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.356 0.662 . . . . 0.0 109.752 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.9 mtm -137.19 121.91 18.63 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.564 1.146 . . . . 0.0 110.113 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.9 m -91.55 -30.36 16.44 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.027 0.931 . . . . 0.0 113.171 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -151.39 170.68 18.98 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 126.506 1.922 . . . . 0.0 111.734 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 m -71.26 -6.52 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.57 61.07 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 120.777 -1.202 . . . . 0.0 111.008 169.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.65 -45.47 90.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.768 0.784 . . . . 0.0 112.587 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -63.32 -38.31 90.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.629 1.104 . . . . 0.0 112.299 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -35.63 89.24 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.748 0.704 . . . . 0.0 113.089 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.13 72.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.119 0.968 . . . . 0.0 111.765 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.7 -43.93 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.227 0.611 . . . . 0.0 110.647 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.45 -47.81 72.45 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.913 0.779 . . . . 0.0 110.931 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.2 -39.74 79.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.391 0.996 . . . . 0.0 112.792 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.76 -46.85 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.762 1.165 . . . . 0.0 111.806 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.9 -33.66 30.34 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -67.44 -15.76 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.167 1.387 . . . . 0.0 112.493 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -74.81 -7.8 54.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.468 1.507 . . . . 0.0 113.74 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.5 mt -125.92 8.29 7.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.372 1.469 . . . . 0.0 114.672 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -48.2 -36.62 11.6 Favored Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 116.439 2.015 . . . . 0.0 116.439 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -53.95 -17.84 11.72 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.396 2.064 . . . . 0.0 115.858 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -119.36 -0.25 10.98 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.534 1.133 . . . . 0.0 113.373 173.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.14 118.81 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 109.098 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -98.25 -19.4 17.85 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 -168.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -156.87 139.65 15.16 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.472 1.109 . . . . 0.0 111.444 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -128.79 132.48 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.904 2.082 . . . . 0.0 107.859 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -145.42 105.17 3.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.184 0.993 . . . . 0.0 111.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mm -102.05 121.91 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.852 1.661 . . . . 0.0 110.382 -174.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -117.59 97.98 6.15 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.001 1.32 . . . . 0.0 110.717 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.95 -44.75 84.12 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.268 -0.895 . . . . 0.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.01 -48.07 83.25 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.24 0.927 . . . . 0.0 111.071 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -87.85 2.77 50.57 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.737 1.215 . . . . 0.0 113.508 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 53.23 25.42 4.35 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.657 2.783 . . . . 0.0 115.629 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.18 152.21 23.1 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.073 1.349 . . . . 0.0 113.339 -172.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.58 119.2 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 127.177 2.191 . . . . 0.0 107.748 174.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.3 121.24 39.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 109.775 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.37 140.89 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.647 0.779 . . . . 0.0 112.107 -171.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -117.31 123.72 47.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.195 1.798 . . . . 0.0 111.137 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -163.46 153.22 15.15 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.0 p -77.8 -10.23 59.44 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.144 1.778 . . . . 0.0 113.554 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.53 150.36 96.09 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.687 1.195 . . . . 0.0 112.575 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.59 150.84 36.23 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.634 2.889 . . . . 0.0 111.659 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.58 -44.95 89.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.83 -23.28 66.65 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -71.78 -34.54 69.52 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.34 -0.85 . . . . 0.0 111.912 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.99 -40.93 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.419 -0.8 . . . . 0.0 109.943 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.21 -41.56 97.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.419 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.07 -44.17 82.8 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.351 0.978 . . . . 0.0 112.954 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE2' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -61.73 -50.36 72.72 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.363 0.983 . . . . 0.0 110.5 174.468 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.05 -50.56 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.339 1.055 . . . . 0.0 111.737 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -66.56 -27.76 67.99 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.796 -1.19 . . . . 0.0 112.392 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -84.91 -9.64 57.9 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -9.28 58.29 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -169.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.63 87.09 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 119.564 1.075 . . . . 0.0 115.273 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -129.92 132.61 46.42 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.798 1.639 . . . . 0.0 109.067 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.7 141.97 55.15 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.981 0.512 . . . . 0.0 112.35 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.91 131.57 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 109.739 172.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -91.24 -43.66 9.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.76 0.824 . . . . 0.0 112.8 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p -158.17 126.07 5.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.845 0.858 . . . . 0.0 111.623 -171.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.01 131.08 6.29 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.903 1.239 . . . . 0.0 113.054 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -140.41 152.89 46.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.414 1.086 . . . . 0.0 113.754 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.33 139.7 38.94 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.557 1.943 . . . . 0.0 110.084 167.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.978 1.311 . . . . 0.0 113.389 -168.815 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -125.05 98.91 5.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.984 1.313 . . . . 0.0 111.017 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.54 126.57 28.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.912 1.285 . . . . 0.0 111.235 165.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.26 146.73 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.982 1.713 . . . . 0.0 109.624 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.06 127.05 69.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.15 151.0 24.58 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.741 0.7 . . . . 0.0 109.515 170.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.36 143.29 29.57 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 160.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.88 91.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.137 1.375 . . . . 0.0 109.112 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.11 25.09 0.16 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.72 20.75 2.72 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-O 118.117 -1.38 . . . . 0.0 116.379 -170.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.95 155.33 6.34 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.659 1.729 . . . . 0.0 114.518 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -166.93 175.46 7.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.599 1.959 . . . . 0.0 109.881 -161.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.25 176.45 2.75 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 128.164 2.586 . . . . 0.0 115.259 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -66.8 -23.28 66.04 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -164.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.35 -11.89 33.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.77 1.168 . . . . 0.0 113.653 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -99.08 -23.31 15.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.021 2.128 . . . . 0.0 113.004 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.93 -36.13 42.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.196 1.398 . . . . 0.0 113.754 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -67.46 -14.33 62.83 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -50.31 -31.28 13.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.038 0.935 . . . . 0.0 110.97 161.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.1 -73.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.312 0.645 . . . . 0.0 111.244 165.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -31.36 71.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -162.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.8 m -59.8 -38.52 82.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.174 0.897 . . . . 0.0 111.69 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.67 -36.66 57.18 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.357 0.98 . . . . 0.0 112.475 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 74.2 mt -58.27 -30.91 66.96 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.222 0.919 . . . . 0.0 111.981 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -77.4 -23.86 50.58 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.629 1.172 . . . . 0.0 114.091 170.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -35.62 51.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.876 -1.14 . . . . 0.0 113.736 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.33 10.98 9.18 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 -160.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 67.05 178.26 0.23 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 128.509 2.723 . . . . 0.0 113.082 -175.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.12 -47.05 1.9 Allowed Glycine 0 N--CA 1.478 1.487 0 C-N-CA 127.038 2.256 . . . . 0.0 115.706 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.8 131.88 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.894 2.077 . . . . 0.0 111.318 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -108.73 -28.29 9.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.442 1.497 . . . . 0.0 111.991 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -148.11 148.09 30.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.533 1.133 . . . . 0.0 111.601 170.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.2 p -145.72 148.37 32.94 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.655 0.782 . . . . 0.0 113.028 171.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -154.9 158.46 39.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.707 2.003 . . . . 0.0 110.168 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.53 138.01 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.389 1.475 . . . . 0.0 112.102 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -119.62 90.42 3.33 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.221 1.408 . . . . 0.0 110.459 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -52.54 -46.57 66.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.24 1.816 . . . . 0.0 113.034 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.44 -32.47 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.001 0.92 . . . . 0.0 113.21 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -114.45 2.63 14.7 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.761 1.625 . . . . 0.0 113.626 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.92 37.28 24.0 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.375 1.87 . . . . 0.0 113.444 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -122.62 169.64 10.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.285 1.434 . . . . 0.0 111.417 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -137.59 134.7 35.88 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.521 -0.737 . . . . 0.0 112.552 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -93.78 95.36 9.09 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.1 138.16 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 0.0 110.283 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -134.27 127.24 31.43 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.314 1.046 . . . . 0.0 109.32 -167.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.8 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.931 0.892 . . . . 0.0 112.761 -168.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -153.22 -177.49 6.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.133 2.573 . . . . 0.0 109.964 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.38 -18.85 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.304 1.442 . . . . 0.0 113.676 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -49.46 -23.91 1.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.436 2.294 . . . . 0.0 113.842 168.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -156.4 163.06 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.64 1.564 . . . . 0.0 112.145 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -125.51 145.9 49.89 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.494 1.518 . . . . 0.0 111.971 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -16.93 51.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.291 1.436 . . . . 0.0 113.455 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.7 -28.46 50.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.032 0.933 . . . . 0.0 112.938 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -78.7 -46.51 18.89 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 170.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -54.23 -43.95 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.242 0.617 . . . . 0.0 110.262 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -50.54 -49.4 56.01 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 123.521 0.728 . . . . 0.0 112.95 172.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -78.27 -26.46 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.282 1.401 . . . . 0.0 110.781 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.32 -51.85 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.834 1.253 . . . . 0.0 110.781 168.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mm -75.97 -23.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 121.3 -0.875 . . . . 0.0 111.618 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.05 -32.37 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.755 0.822 . . . . 0.0 111.924 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.04 -21.11 61.58 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.937 1.244 . . . . 0.0 113.732 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.58 -18.79 61.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.525 1.13 . . . . 0.0 113.489 170.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.76 23.17 8.41 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.175 1.369 . . . . 0.0 115.329 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.47 -158.23 0.65 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.678 1.239 . . . . 0.0 110.109 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.43 16.74 2.03 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -163.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.82 154.37 39.53 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -162.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -160.06 145.78 15.41 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.719 1.607 . . . . 0.0 108.241 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 tt -54.05 131.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.654 0.74 . . . . 0.0 112.25 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -95.97 -52.29 4.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.321 1.448 . . . . 0.0 107.849 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -162.42 138.89 7.72 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.909 1.284 . . . . 0.0 111.426 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.13 60.97 0.43 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.785 2.434 . . . . 0.0 111.634 167.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 130.015 3.326 . . . . 0.0 113.628 177.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 121.694 0.759 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.94 138.17 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.883 0.849 . . . . 0.0 110.941 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -112.37 159.02 19.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.928 2.091 . . . . 0.0 110.685 165.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -117.59 140.78 49.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.341 1.456 . . . . 0.0 111.286 171.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.5 150.9 44.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.602 1.961 . . . . 0.0 110.673 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -136.57 134.74 37.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.519 -0.738 . . . . 0.0 110.543 172.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.66 138.03 52.7 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.895 1.278 . . . . 0.0 111.175 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.66 119.85 35.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.413 1.485 . . . . 0.0 109.222 166.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.51 130.68 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.746 1.218 . . . . 0.0 110.833 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.55 97.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.19 0.996 . . . . 0.0 109.401 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -73.32 -31.33 63.93 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -161.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p 73.97 -36.92 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 129.685 3.194 . . . . 0.0 114.445 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.54 175.29 10.0 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 127.73 2.412 . . . . 0.0 110.567 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 m -71.41 -16.39 62.39 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.72 73.17 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.912 0.778 . . . . 0.0 113.47 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.01 -44.85 64.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.737 1.215 . . . . 0.0 112.828 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -59.05 -22.13 60.23 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.4 -41.44 4.82 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 125.042 1.306 . . . . 0.0 112.315 170.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.62 55.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.376 1.07 . . . . 0.0 112.044 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.04 -41.09 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.146 0.578 . . . . 0.0 110.545 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -55.13 -51.24 67.08 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.257 0.623 . . . . 0.0 110.871 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -61.35 -47.9 83.78 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.571 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.35 -43.31 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 120.27 1.396 . . . . 0.0 111.528 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.81 -28.42 62.55 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.343 -0.848 . . . . 0.0 112.984 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -62.6 -30.53 71.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.256 1.022 . . . . 0.0 111.935 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -56.39 -21.26 23.79 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.665 1.12 . . . . 0.0 113.531 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -112.36 11.89 20.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.696 1.598 . . . . 0.0 113.785 -170.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.01 -30.91 6.36 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.72 -17.89 52.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 121.891 1.711 . . . . 0.0 113.607 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -107.96 -35.16 6.7 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 112.785 168.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.36 105.75 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.045 1.738 . . . . 0.0 110.801 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 p -84.44 -18.22 36.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.401 1.48 . . . . 0.0 114.818 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -162.38 136.32 6.41 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.272 1.029 . . . . 0.0 112.954 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.37 127.56 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.936 1.694 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.07 138.51 40.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.867 1.267 . . . . 0.0 111.186 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.2 mm -105.29 146.44 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -131.49 101.44 5.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.889 1.275 . . . . 0.0 110.813 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.13 -51.43 63.95 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.5 -52.05 50.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.137 0.881 . . . . 0.0 110.857 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.05 -4.56 25.64 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.211 1.404 . . . . 0.0 113.327 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 55.9 30.96 16.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.709 2.004 . . . . 0.0 113.621 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.94 155.99 17.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.819 1.248 . . . . 0.0 113.162 -175.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.31 131.83 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.339 1.856 . . . . 0.0 109.174 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.71 118.45 36.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.284 1.834 . . . . 0.0 110.066 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.66 134.82 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.714 1.206 . . . . 0.0 110.866 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.58 132.55 54.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.442 1.497 . . . . 0.0 109.646 168.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.92 154.1 7.51 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -171.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -75.62 -6.75 51.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.556 1.542 . . . . 0.0 113.562 169.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.86 157.81 78.7 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.835 1.654 . . . . 0.0 113.868 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.58 159.8 48.05 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.96 3.107 . . . . 0.0 112.138 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.96 -52.79 17.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.053 1.341 . . . . 0.0 113.861 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.39 -21.85 66.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.66 -39.87 94.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.586 0.754 . . . . 0.0 111.583 170.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.2 mm -73.91 -38.87 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.304 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.87 -50.23 64.22 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.462 0.574 . . . . 0.0 110.957 173.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.32 -44.21 79.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.582 0.753 . . . . 0.0 112.885 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.89 -33.53 71.96 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.156 1.344 . . . . 0.0 112.771 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.59 -59.77 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.748 1.219 . . . . 0.0 110.483 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.17 -35.65 69.83 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.574 1.079 . . . . 0.0 113.187 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 3.22 20.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -63.23 -33.48 75.58 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.234 -0.916 . . . . 0.0 112.065 163.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.97 -3.0 14.58 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.116 1.341 . . . . 0.0 114.008 -170.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -108.52 141.83 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.751 1.276 . . . . 0.0 112.085 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -81.78 158.44 24.12 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.594 1.158 . . . . 0.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.38 143.89 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.619 1.168 . . . . 0.0 111.322 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.45 -42.95 21.73 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.312 -0.242 . . . . 0.0 110.998 172.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -171.61 148.6 2.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.365 1.066 . . . . 0.0 112.951 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.6 159.57 21.03 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.404 1.002 . . . . 0.0 111.529 159.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -140.86 150.63 43.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.989 0.899 . . . . 0.0 113.15 167.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -98.44 130.03 45.06 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.898 2.079 . . . . 0.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.257 1.823 . . . . 0.0 111.262 -174.598 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -161.49 117.45 2.12 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.687 1.195 . . . . 0.0 112.398 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -66.78 132.18 47.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.688 1.195 . . . . 0.0 109.352 154.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.37 142.58 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.822 1.649 . . . . 0.0 111.884 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -118.76 108.7 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.864 1.666 . . . . 0.0 107.685 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.56 135.82 45.26 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.409 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.09 145.93 35.51 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.741 1.155 . . . . 0.0 110.374 170.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.52 113.62 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.12 1.368 . . . . 0.0 107.739 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -84.39 25.82 0.84 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -165.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.31 18.44 2.67 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.251 1.405 . . . . 0.0 115.488 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.7 mmt -51.45 151.8 2.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.967 1.384 . . . . 0.0 113.703 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -170.26 -148.7 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.997 1.719 . . . . 0.0 110.465 -160.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -74.51 172.62 11.65 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.904 1.681 . . . . 0.0 114.08 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -75.67 -26.57 57.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -155.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.9 13.35 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.648 1.113 . . . . 0.0 111.366 174.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -56.5 -37.01 69.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.931 1.293 . . . . 0.0 112.505 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.4 p -79.14 -56.1 4.62 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.417 1.487 . . . . 0.0 112.871 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -71.52 6.79 1.67 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.747 1.158 . . . . 0.0 114.104 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -38.96 -49.81 1.72 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.218 1.007 . . . . 0.0 110.596 145.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.17 -55.87 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.762 0.825 . . . . 0.0 110.686 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -58.38 -44.91 89.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.46 0.704 . . . . 0.0 111.722 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 48.6 m -45.93 -35.01 4.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.719 1.208 . . . . 0.0 114.103 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -91.55 -47.91 7.15 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.561 1.528 . . . . 0.0 113.382 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pp -70.76 -29.89 66.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.988 1.267 . . . . 0.0 113.341 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -60.06 -29.55 68.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.519 1.054 . . . . 0.0 112.192 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.93 -6.69 59.02 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -169.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.271 3.8 pp -73.48 10.54 1.01 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -169.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt 59.08 28.51 17.81 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.647 2.779 . . . . 0.0 113.757 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.64 -3.93 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.332 1.92 . . . . 0.0 116.651 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.8 t -94.6 129.02 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.146 1.473 . . . . 0.0 108.438 173.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 24.4 m -97.95 -47.72 5.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.219 1.008 . . . . 0.0 110.944 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -136.14 148.84 48.4 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.901 1.681 . . . . 0.0 109.901 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 p -176.2 133.65 0.25 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.817 1.247 . . . . 0.0 113.981 -167.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.75 -178.89 6.0 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.441 2.696 . . . . 0.0 108.776 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.19 153.13 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.05 2.14 . . . . 0.0 110.985 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -135.23 148.48 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.2 1.4 . . . . 0.0 109.223 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.26 12.46 29.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.12 -35.7 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.804 0.729 . . . . 0.0 110.925 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.41 -20.55 8.42 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.354 1.462 . . . . 0.0 111.476 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.253 78.0 m-20 90.2 47.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.802 3.241 . . . . 0.0 110.504 -174.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -111.04 149.43 30.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.731 1.612 . . . . 0.0 114.465 -170.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.6 m -91.15 126.48 36.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.565 1.146 . . . . 0.0 109.098 161.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.32 85.47 2.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.323 1.049 . . . . 0.0 108.947 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.72 157.29 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.79 1.636 . . . . 0.0 112.009 -160.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.2 m -147.47 136.26 22.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.979 1.712 . . . . 0.0 109.504 -173.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.64 147.13 37.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 123.213 1.482 . . . . 0.0 111.261 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.36 -68.22 0.64 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 128.729 2.812 . . . . 0.0 113.589 -173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 178.0 154.6 0.34 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.408 2.683 . . . . 0.0 108.917 -173.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 80.38 36.17 0.12 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 129.583 3.153 . . . . 0.0 111.099 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.9 t -159.02 148.7 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.543 2.337 . . . . 0.0 108.714 -161.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -148.41 147.66 29.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 110.545 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.37 -27.01 67.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.19 -35.65 69.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.694 1.198 . . . . 0.0 112.61 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 m -78.83 -37.02 41.6 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.118 0.967 . . . . 0.0 111.651 175.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.14 -35.68 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.624 -0.673 . . . . 0.0 110.285 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -54.76 -33.69 61.58 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.856 -1.152 . . . . 0.0 112.661 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.85 -28.55 55.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.057 1.299 . . . . 0.0 110.62 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.14 -47.4 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.11 1.364 . . . . 0.0 110.101 171.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.37 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.72 -32.88 60.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.881 0.472 . . . . 0.0 111.574 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.37 -19.75 63.84 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -81.74 -4.29 55.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.808 1.643 . . . . 0.0 112.683 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.91 9.54 65.82 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.477 1.513 . . . . 0.0 116.329 172.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.14 -155.25 0.43 Allowed 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.897 1.848 . . . . 0.0 111.892 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.25 137.0 17.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.997 2.119 . . . . 0.0 107.152 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -167.61 158.3 11.13 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -155.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.24 17.41 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.904 1.281 . . . . 0.0 110.601 -171.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 tp -75.89 107.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.54 -43.91 16.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 109.085 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -155.37 145.58 21.79 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.754 2.022 . . . . 0.0 108.006 169.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.29 47.59 0.57 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.135 -0.978 . . . . 0.0 112.211 161.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.253 1.266 0 C-N-CA 130.857 3.663 . . . . 0.0 111.805 -168.264 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 . . . . . 0 CA--C 1.544 0.748 0 CA-C-O 122.638 1.208 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.9 mt -81.74 113.85 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 125.977 1.711 . . . . 0.0 110.391 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -85.76 162.0 18.91 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.928 1.291 . . . . 0.0 111.55 169.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -121.91 121.8 37.94 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.24 1.816 . . . . 0.0 110.103 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.12 149.17 43.96 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.768 1.227 . . . . 0.0 111.198 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -129.33 146.31 51.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.443 1.097 . . . . 0.0 109.875 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -138.94 141.79 38.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.761 1.624 . . . . 0.0 110.283 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -106.13 116.85 32.64 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.74 2.016 . . . . 0.0 108.357 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.57 139.85 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.4 1.08 . . . . 0.0 109.765 -161.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.57 113.83 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 122.961 0.504 . . . . 0.0 109.791 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.5 tpp -125.69 104.58 8.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.409 1.084 . . . . 0.0 110.002 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -81.85 -21.85 37.3 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -164.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -160.21 167.96 26.46 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.601 1.56 . . . . 0.0 112.598 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -67.99 -15.94 63.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.838 -1.164 . . . . 0.0 112.896 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.72 -38.15 37.74 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.476 1.036 . . . . 0.0 111.735 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.0 -45.6 92.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.671 1.188 . . . . 0.0 110.84 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -55.29 -45.96 76.2 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.968 0.507 . . . . 0.0 112.122 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.73 -40.17 98.87 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 123.296 0.474 . . . . 0.0 112.706 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.23 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.694 1.197 . . . . 0.0 112.01 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.71 -43.35 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.478 -0.764 . . . . 0.0 110.931 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.08 -35.74 75.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.334 -0.853 . . . . 0.0 112.272 172.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -62.93 -46.2 88.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.783 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.6 t -52.14 -50.54 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 119.429 1.013 . . . . 0.0 111.283 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.32 -22.49 57.62 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -68.41 -26.17 65.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.026 1.284 . . . . 0.0 111.84 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -56.81 -15.73 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.451 -1.406 . . . . 0.0 113.456 165.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.0 mt -107.91 9.47 28.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.8 1.64 . . . . 0.0 113.551 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -50.08 -29.97 2.84 Favored Pre-proline 0 N--CA 1.48 1.047 0 CA-C-N 121.834 2.106 . . . . 0.0 115.835 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -58.47 -18.4 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 CA-C-N 121.354 1.519 . . . . 0.0 114.607 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.65 -19.21 3.77 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.503 1.921 . . . . 0.0 113.79 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.95 134.27 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 109.591 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -91.15 -46.52 8.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.637 0.775 . . . . 0.0 112.667 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -156.34 136.09 12.54 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.41 1.084 . . . . 0.0 112.269 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.59 132.69 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.199 1.4 . . . . 0.0 110.042 169.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -139.85 116.77 11.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.127 0.971 . . . . 0.0 111.481 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.52 142.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.729 1.612 . . . . 0.0 110.332 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -127.06 97.41 4.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.347 1.859 . . . . 0.0 109.466 171.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.0 -48.95 64.35 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -166.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -43.44 89.35 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.134 1.334 . . . . 0.0 111.002 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -82.59 0.76 41.39 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.441 1.896 . . . . 0.0 113.445 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 52.55 38.21 25.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.363 2.665 . . . . 0.0 114.781 174.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.278 3.7 pp -125.01 157.2 36.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.78 130.5 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 126.53 1.932 . . . . 0.0 108.559 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -107.83 137.53 45.68 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.018 1.727 . . . . 0.0 109.752 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.55 147.48 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.846 1.259 . . . . 0.0 110.953 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.47 130.48 49.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.873 1.669 . . . . 0.0 110.496 166.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -167.54 154.79 8.55 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.75 1.159 . . . . 0.0 113.374 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.2 p -80.27 -12.41 59.62 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.869 1.268 . . . . 0.0 112.894 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.33 152.36 96.54 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 112.819 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -71.44 151.58 59.56 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.448 2.766 . . . . 0.0 111.981 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.37 -42.89 87.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.84 1.256 . . . . 0.0 113.411 -171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.83 -23.19 67.16 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.799 1.24 . . . . 0.0 112.763 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.88 -37.88 58.43 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 111.673 173.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.7 mm -71.12 -39.61 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.954 0.902 . . . . 0.0 111.939 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.02 -47.21 68.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.517 0.599 . . . . 0.0 111.053 173.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.28 -31.9 70.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.7 -46.28 90.36 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 120.155 1.343 . . . . 0.0 111.275 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.15 -52.04 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.19 0.996 . . . . 0.0 110.462 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -53.9 -37.32 63.65 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.205 1.002 . . . . 0.0 112.42 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -63.33 -23.38 67.39 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.7 p -73.08 -18.43 61.31 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -174.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.73 2.81 88.54 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.357 0.98 . . . . 0.0 114.76 -173.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HE3' HG21 ' B' ' 19' ' ' THR . 5.9 mptt -94.87 127.79 41.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.315 1.446 . . . . 0.0 109.178 174.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.14 136.12 38.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.809 0.731 . . . . 0.0 112.623 -172.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -88.66 144.64 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.325 1.05 . . . . 0.0 111.347 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -110.44 -50.78 2.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 112.263 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -155.15 171.32 19.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.655 1.982 . . . . 0.0 110.345 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.92 171.09 42.52 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.57 1.081 . . . . 0.0 114.284 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -163.64 164.63 23.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.08 145.97 26.58 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.746 1.619 . . . . 0.0 111.055 162.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.127 1.371 . . . . 0.0 112.998 -170.169 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -161.69 126.36 3.41 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.252 1.821 . . . . 0.0 111.416 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.31 153.33 43.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.391 2.276 . . . . 0.0 111.655 166.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.71 138.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.538 1.135 . . . . 0.0 111.827 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.5 mm -119.08 128.18 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.41 145.25 48.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.911 0.778 . . . . 0.0 112.059 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.91 137.68 32.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.36 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.2 112.17 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.137 1.775 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.18 -0.46 49.4 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -164.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.72 23.71 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.339 1.924 . . . . 0.0 115.734 -165.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.79 134.87 36.49 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 120.105 1.952 . . . . 0.0 113.885 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -110.47 -152.19 0.49 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 127.256 2.222 . . . . 0.0 110.379 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.57 -35.77 15.71 Favored 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -160.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.3 t -169.55 -121.12 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.223 1.009 . . . . 0.0 112.364 -168.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -19.49 62.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.416 1.486 . . . . 0.0 114.941 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 p -50.25 -45.98 54.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.72 1.208 . . . . 0.0 111.691 164.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -71.55 -39.99 70.3 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 124.347 1.059 . . . . 0.0 112.968 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -65.35 -9.55 25.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.325 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.451 HG21 ' HE3' ' A' ' 65' ' ' LYS . 60.3 p -51.67 -35.83 44.05 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.504 1.502 . . . . 0.0 112.438 165.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.01 -57.7 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.5 1.12 . . . . 0.0 110.898 167.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.23 -48.13 81.35 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.77 0.714 . . . . 0.0 112.326 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -50.47 -44.65 55.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.631 1.172 . . . . 0.0 112.599 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -77.28 -45.52 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.442 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.53 -44.53 82.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.08 1.309 . . . . 0.0 112.969 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.69 -29.55 64.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.949 0.899 . . . . 0.0 111.981 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.0 -5.65 54.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.16 129.86 34.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.201 1.364 . . . . 0.0 112.845 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -51.21 126.61 17.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.975 0.91 . . . . 0.0 110.113 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.39 -32.55 6.61 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.252 1.882 . . . . 0.0 114.388 -174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.74 114.56 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.649 1.725 . . . . 0.0 109.541 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.3 t -96.9 -36.87 10.43 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.51 0.724 . . . . 0.0 111.998 -175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -143.12 154.7 44.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.687 1.595 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 39.6 t -160.72 114.31 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.688 1.595 . . . . 0.0 110.002 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -118.64 166.05 13.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.052 1.741 . . . . 0.0 111.465 171.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 tt -156.99 128.49 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.93 2.092 . . . . 0.0 111.453 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -122.81 111.06 16.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.087 0.955 . . . . 0.0 111.637 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.54 -34.35 75.4 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.97 -50.14 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.15 0.886 . . . . 0.0 111.473 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.1 p -78.45 -17.64 56.05 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m120 79.32 17.87 0.82 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.812 2.445 . . . . 0.0 113.026 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.73 147.99 24.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.268 1.027 . . . . 0.0 112.837 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 73.8 m -108.7 140.66 41.79 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.117 1.367 . . . . 0.0 109.722 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -122.78 96.79 5.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -173.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 t -125.47 136.61 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.031 1.332 . . . . 0.0 110.384 -164.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -129.04 117.48 20.96 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -166.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -128.4 -157.2 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.745 0.783 . . . . 0.0 112.294 -165.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -178.73 163.23 1.43 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.051 2.94 . . . . 0.0 112.51 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.84 -6.67 1.33 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -166.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.25 -13.46 62.0 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.371 1.068 . . . . 0.0 112.79 165.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -151.86 171.86 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.216 2.206 . . . . 0.0 110.797 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -130.31 159.4 37.05 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.682 1.593 . . . . 0.0 112.359 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.14 -16.49 64.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.95 -38.24 82.57 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.834 1.254 . . . . 0.0 111.447 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -67.01 -44.02 81.39 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.004 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.44 -46.63 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 119.672 1.124 . . . . 0.0 110.486 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.7 -45.02 66.7 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -77.09 -18.78 57.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.27 1.828 . . . . 0.0 111.754 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mm -80.46 -46.31 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.09 1.356 . . . . 0.0 110.4 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -60.24 -34.83 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.291 0.496 . . . . 0.0 110.329 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.52 -36.78 57.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.333 -0.841 . . . . 0.0 113.047 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -70.19 -20.39 63.12 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.486 1.494 . . . . 0.0 113.763 171.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -70.15 -16.28 63.07 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.191 -0.943 . . . . 0.0 112.657 166.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 20.07 15.17 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.731 1.634 . . . . 0.0 115.078 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -108.4 -155.95 0.57 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.63 1.172 . . . . 0.0 110.404 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -160.17 142.94 13.47 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.641 1.577 . . . . 0.0 108.706 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.45 165.28 21.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -161.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.73 140.29 16.9 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.042 2.137 . . . . 0.0 108.585 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.74 125.23 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.499 0.72 . . . . 0.0 111.154 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.29 -50.3 4.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.456 1.902 . . . . 0.0 110.226 -165.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -151.62 141.38 21.87 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 125.73 1.612 . . . . 0.0 110.49 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -78.35 55.92 1.64 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.111 1.765 . . . . 0.0 110.202 160.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.251 1.162 0 C-N-CA 129.465 3.106 . . . . 0.0 112.886 -175.348 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 122.927 1.346 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.25 128.24 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.587 1.955 . . . . 0.0 110.533 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -103.64 159.74 15.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.587 1.155 . . . . 0.0 111.077 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -115.77 133.83 55.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.338 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -128.95 146.55 50.93 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.548 1.539 . . . . 0.0 111.074 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -132.68 129.13 38.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.904 0.882 . . . . 0.0 110.082 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -123.53 141.8 51.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.981 1.312 . . . . 0.0 111.051 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.12 125.16 48.74 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 108.176 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.4 t -140.67 139.39 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.393 1.077 . . . . 0.0 109.962 -163.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.9 t -68.75 118.18 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.97 0.508 . . . . 0.0 109.873 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.1 mtm -140.22 109.17 6.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.819 0.848 . . . . 0.0 110.875 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.0 -43.96 70.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.375 -176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -142.2 176.59 8.85 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -70.37 -12.0 61.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.207 1.403 . . . . 0.0 112.902 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 -38.16 16.33 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.45 1.5 . . . . 0.0 111.452 166.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.68 -52.77 59.18 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.427 1.114 . . . . 0.0 111.371 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.9 p -65.97 -19.36 65.83 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.085 -1.009 . . . . 0.0 112.847 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.36 -36.45 44.65 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.299 0.952 . . . . 0.0 112.438 172.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.49 71.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.885 0.874 . . . . 0.0 111.34 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.99 -49.08 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.261 0.624 . . . . 0.0 110.708 173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -52.43 -52.32 54.57 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.763 0.71 . . . . 0.0 111.609 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.64 -25.7 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -65.66 -45.76 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.505 1.048 . . . . 0.0 110.902 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.75 -35.1 62.6 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -64.77 -27.92 69.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 121.005 1.73 . . . . 0.0 113.49 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -62.93 -12.25 24.11 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.551 -1.343 . . . . 0.0 112.974 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.7 mt -106.31 18.52 21.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.605 1.962 . . . . 0.0 112.998 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -46.16 -33.42 2.32 Favored Pre-proline 0 N--CA 1.48 1.066 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 170.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -63.63 -16.07 52.51 Favored 'Trans proline' 0 C--N 1.354 0.844 0 CA-C-N 121.735 1.655 . . . . 0.0 114.206 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.72 -35.92 2.28 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.894 1.678 . . . . 0.0 114.128 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.1 t -93.57 120.78 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.185 1.794 . . . . 0.0 108.59 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.47 -20.86 14.94 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -165.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.58 135.55 8.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.546 1.539 . . . . 0.0 111.015 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -131.2 153.31 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.607 1.563 . . . . 0.0 110.448 166.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.26 114.99 6.42 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.214 1.006 . . . . 0.0 110.53 169.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.21 137.61 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.285 1.434 . . . . 0.0 110.534 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -129.93 92.32 3.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.399 1.48 . . . . 0.0 111.818 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.6 tp -54.96 -58.98 5.41 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.39 -35.95 76.95 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.748 1.158 . . . . 0.0 112.367 -170.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -91.15 5.46 48.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.802 1.241 . . . . 0.0 114.32 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 59.88 25.81 14.97 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.2 2.6 . . . . 0.0 115.387 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.96 153.68 22.72 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.787 1.235 . . . . 0.0 113.781 -172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 133.88 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.861 2.064 . . . . 0.0 109.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -113.66 132.62 55.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.02 1.728 . . . . 0.0 109.704 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 t -134.86 138.11 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.484 1.114 . . . . 0.0 111.981 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -127.03 120.45 29.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 111.792 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -163.96 160.28 21.75 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -87.86 -3.08 58.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.631 2.772 . . . . 0.0 113.618 168.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.16 153.06 77.02 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 124.363 1.065 . . . . 0.0 112.291 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.23 140.97 94.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.015 2.477 . . . . 0.0 113.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -50.9 -44.38 59.97 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.551 1.141 . . . . 0.0 111.718 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.34 -34.1 76.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.32 1.048 . . . . 0.0 113.778 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.0 -38.76 79.47 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.828 1.251 . . . . 0.0 111.04 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -66.44 -39.62 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.396 174.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.46 -48.44 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.564 1.075 . . . . 0.0 111.548 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.62 -44.66 95.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.435 0.694 . . . . 0.0 112.576 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.9 -37.51 82.48 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.992 1.269 . . . . 0.0 112.871 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.85 -52.15 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.257 0.935 . . . . 0.0 110.592 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.49 -31.44 71.42 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.958 -1.089 . . . . 0.0 112.966 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.68 -15.42 28.63 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.017 1.327 . . . . 0.0 114.523 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.5 p -63.99 -17.67 63.53 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.123 1.329 . . . . 0.0 113.945 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.84 -12.61 68.99 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.25 0.928 . . . . 0.0 114.377 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.94 174.68 10.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.859 1.264 . . . . 0.0 111.741 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.41 149.63 26.84 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.012 1.325 . . . . 0.0 112.403 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.71 122.81 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.671 1.988 . . . . 0.0 108.775 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -89.26 -34.53 16.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.51 1.524 . . . . 0.0 111.833 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -160.38 159.4 31.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 112.789 166.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.97 154.26 22.15 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.33 1.443 . . . . 0.0 112.001 166.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -155.56 152.79 29.24 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.59 120.9 42.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.262 2.225 . . . . 0.0 108.871 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.324 1.45 . . . . 0.0 113.025 -170.173 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 -160.68 -147.15 0.14 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.616 2.766 . . . . 0.0 109.21 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -156.44 161.68 40.06 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.044 2.138 . . . . 0.0 110.869 -174.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -153.16 141.85 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.919 1.288 . . . . 0.0 109.494 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.33 136.12 60.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.592 1.157 . . . . 0.0 107.936 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.28 149.44 45.7 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.191 0.996 . . . . 0.0 111.894 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.91 147.37 35.07 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.889 0.476 . . . . 0.0 110.303 166.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.01 108.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.016 1.326 . . . . 0.0 110.258 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -86.45 -23.91 25.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -163.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.78 -5.61 89.24 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 -167.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.6 ptp -81.31 147.48 29.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.431 1.092 . . . . 0.0 112.389 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -141.72 -30.0 0.6 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.7 168.02 28.42 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 122.282 1.039 . . . . 0.0 112.93 -161.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 88.4 p -71.85 22.6 0.05 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -167.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.06 -44.75 1.28 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.821 -1.174 . . . . 0.0 113.016 172.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.06 -32.91 74.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 p -58.53 -53.74 54.92 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.824 1.65 . . . . 0.0 112.599 173.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -26.02 68.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.261 0.937 . . . . 0.0 111.624 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.02 -36.49 7.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.273 1.429 . . . . 0.0 111.611 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.81 -50.12 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 119.097 -0.477 . . . . 0.0 110.083 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.92 -51.16 69.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.023 0.829 . . . . 0.0 111.456 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.8 m -48.96 -44.9 41.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.978 1.311 . . . . 0.0 112.713 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -90.65 -41.42 11.33 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.63 -37.5 62.79 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.138 1.335 . . . . 0.0 111.876 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.48 -23.97 53.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.671 1.123 . . . . 0.0 113.078 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.73 -4.47 59.18 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.164 1.386 . . . . 0.0 114.273 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.01 119.0 16.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.633 1.106 . . . . 0.0 109.614 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 111.63 1.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.67 -0.644 . . . . 0.0 109.489 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.42 -4.88 26.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.308 1.908 . . . . 0.0 115.268 -170.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -107.84 135.73 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.481 1.641 . . . . 0.0 109.17 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -102.93 -38.62 7.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.055 0.942 . . . . 0.0 112.97 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -158.84 153.27 24.18 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.706 1.202 . . . . 0.0 112.486 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -136.82 117.46 13.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.717 1.607 . . . . 0.0 111.819 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.58 163.94 11.98 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.025 1.73 . . . . 0.0 110.844 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -143.27 152.69 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.444 1.898 . . . . 0.0 109.352 -165.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.1 t -144.71 118.57 9.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.636 -1.29 . . . . 0.0 109.89 154.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.88 -29.69 25.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.697 1.999 . . . . 0.0 110.905 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -58.27 -26.11 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -124.4 6.65 8.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.275 1.43 . . . . 0.0 114.151 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.73 44.58 3.72 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.761 1.624 . . . . 0.0 113.674 169.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.4 159.82 39.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.07 1.348 . . . . 0.0 113.518 -170.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 58.9 m -140.07 146.76 39.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.004 1.322 . . . . 0.0 112.36 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -121.16 102.47 8.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.081 1.752 . . . . 0.0 108.991 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.15 135.85 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.689 1.596 . . . . 0.0 109.953 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.0 m -120.76 118.92 31.27 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 126.677 1.991 . . . . 0.0 106.763 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -154.6 -174.29 4.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.456 1.598 . . . . 0.0 110.997 -158.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.13 166.6 27.36 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 127.514 2.326 . . . . 0.0 113.153 -166.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -55.67 -21.62 19.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.635 1.574 . . . . 0.0 115.098 -162.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.6 -16.28 63.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.326 1.85 . . . . 0.0 114.448 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 95.4 t -124.37 149.41 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.727 1.611 . . . . 0.0 109.314 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -120.9 139.64 52.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.379 1.872 . . . . 0.0 108.922 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.07 -28.1 69.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.39 -21.06 66.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.799 1.64 . . . . 0.0 113.815 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -80.46 -41.33 24.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 110.882 168.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.4 -40.4 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.47 -0.769 . . . . 0.0 109.968 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -64.72 4.14 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.765 1.626 . . . . 0.0 114.97 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.1 -46.12 2.21 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.672 1.589 . . . . 0.0 109.181 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.13 -42.88 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.211 1.004 . . . . 0.0 112.204 174.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.18 -18.05 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.51 0.596 . . . . 0.0 112.164 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.75 -36.75 42.7 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.035 0.379 . . . . 0.0 110.335 167.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.63 -5.08 26.78 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.125 -0.984 . . . . 0.0 113.096 166.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.5 m -91.53 -9.35 44.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.634 1.174 . . . . 0.0 112.979 162.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.63 29.61 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.823 1.202 . . . . 0.0 115.301 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -118.9 -164.35 1.03 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.198 1.499 . . . . 0.0 111.02 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -164.17 140.38 6.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.74 2.816 . . . . 0.0 107.341 -172.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.2 p -167.73 169.74 11.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -149.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.9 144.22 16.23 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.071 1.748 . . . . 0.0 108.772 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -74.81 108.26 6.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 124.294 1.038 . . . . 0.0 108.219 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.51 -50.97 9.94 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -167.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -156.66 147.77 22.09 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.179 1.791 . . . . 0.0 111.634 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.29 61.39 0.64 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.764 2.426 . . . . 0.0 110.281 160.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.588 1.155 . . . . 0.0 114.099 -174.802 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 123.135 1.445 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.19 129.21 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.938 1.695 . . . . 0.0 110.412 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.84 158.57 18.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.697 1.199 . . . . 0.0 111.515 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.28 118.21 33.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.506 1.122 . . . . 0.0 111.092 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.93 144.72 42.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 124.559 1.144 . . . . 0.0 110.444 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -131.61 138.29 48.74 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.535 0.734 . . . . 0.0 109.489 171.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.58 135.1 48.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.776 1.231 . . . . 0.0 109.897 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -84.97 122.56 29.39 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 157.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.58 137.46 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.878 1.271 . . . . 0.0 109.615 -170.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.3 t -69.09 104.86 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.892 1.277 . . . . 0.0 109.31 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -141.36 138.21 32.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.986 0.915 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.32 4.28 9.72 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 t -149.63 151.79 34.35 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.124 1.37 . . . . 0.0 112.779 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 m -62.44 -12.29 20.96 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.344 1.057 . . . . 0.0 112.936 165.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -27.54 63.44 Favored Glycine 0 C--N 1.343 0.948 0 C-N-CA 123.987 0.803 . . . . 0.0 112.784 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.2 -49.44 43.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.816 1.308 . . . . 0.0 110.584 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -64.83 -32.13 73.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.365 -0.834 . . . . 0.0 112.348 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.28 95.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.241 -0.912 . . . . 0.0 112.587 170.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.03 80.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.544 1.137 . . . . 0.0 111.952 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.9 t -55.77 -49.82 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.519 0.727 . . . . 0.0 110.913 173.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.0 -38.0 78.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.735 0.698 . . . . 0.0 111.593 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -66.46 -51.14 60.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 0.0 113.12 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.41 -37.74 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.617 1.098 . . . . 0.0 111.453 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.5 -22.63 50.93 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -69.35 -13.31 62.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.645 1.178 . . . . 0.0 113.146 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -79.86 -8.39 59.27 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.668 1.187 . . . . 0.0 113.75 167.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.8 mt -123.28 18.12 9.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.499 1.919 . . . . 0.0 113.154 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -59.04 -28.2 4.37 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 116.743 -1.598 . . . . 0.0 115.192 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.25 -22.5 74.24 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 CA-C-N 122.039 1.764 . . . . 0.0 113.424 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -108.2 -34.24 6.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.747 1.219 . . . . 0.0 113.503 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.84 119.82 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.38 1.472 . . . . 0.0 109.944 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.6 p -86.4 -28.24 23.69 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -155.06 140.84 18.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.638 1.175 . . . . 0.0 113.572 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -119.32 139.09 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.387 2.275 . . . . 0.0 107.824 167.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -155.11 140.13 17.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 109.735 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 mt -129.81 139.13 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.794 0.838 . . . . 0.0 110.941 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -125.36 74.52 1.39 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.323 1.849 . . . . 0.0 110.589 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.25 -36.68 43.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.887 2.075 . . . . 0.0 113.95 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.0 -21.98 65.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.319 1.048 . . . . 0.0 113.609 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -116.76 22.72 12.47 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.73 2.012 . . . . 0.0 112.565 164.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 55.52 14.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.778 2.831 . . . . 0.0 117.071 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.31 3.8 pp -104.88 151.94 23.24 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -119.92 130.05 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.214 2.205 . . . . 0.0 108.496 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.91 122.1 43.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.024 1.73 . . . . 0.0 110.201 171.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.66 139.79 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.443 1.097 . . . . 0.0 109.963 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -124.57 121.83 35.87 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 110.163 166.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -167.2 160.48 13.77 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.5 p -86.97 -5.01 59.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.953 2.501 . . . . 0.0 113.805 168.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.33 155.6 93.18 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.952 1.301 . . . . 0.0 111.966 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.94 150.04 77.92 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.724 2.95 . . . . 0.0 112.614 171.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.26 -44.77 88.52 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.558 0.743 . . . . 0.0 112.031 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.725 1.21 . . . . 0.0 113.401 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -68.74 -37.57 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.438 0.695 . . . . 0.0 111.519 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mm -69.01 -37.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.369 -0.832 . . . . 0.0 111.308 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.76 -43.05 76.35 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.058 0.844 . . . . 0.0 111.751 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.98 -41.51 70.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.871 1.268 . . . . 0.0 112.933 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.07 -36.13 83.02 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.321 -1.487 . . . . 0.0 112.28 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -45.67 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.349 0.977 . . . . 0.0 110.849 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -56.92 -44.52 82.52 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 111.868 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.85 -37.99 89.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.3 m -61.29 -33.93 74.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.313 1.445 . . . . 0.0 110.515 171.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.7 12.7 27.64 Favored Glycine 0 N--CA 1.466 0.649 0 C-N-CA 124.795 1.188 . . . . 0.0 114.731 167.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -108.19 152.09 25.05 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.817 1.308 . . . . 0.0 112.084 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.69 139.13 31.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.342 -0.849 . . . . 0.0 111.862 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.55 132.73 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 109.26 167.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -80.18 -58.69 3.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.16 0.584 . . . . 0.0 110.113 167.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -161.2 147.45 14.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.849 1.26 . . . . 0.0 111.69 165.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.06 170.93 25.75 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 125.326 1.441 . . . . 0.0 112.924 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -168.52 160.79 11.26 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.746 1.219 . . . . 0.0 113.444 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.45 142.25 33.13 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 167.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.015 1.726 . . . . 0.0 112.806 -176.063 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.269 0.556 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -112.2 122.92 49.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 129.809 3.244 . . . . 0.0 106.509 -176.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.43 139.13 57.85 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.288 1.435 . . . . 0.0 110.572 166.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.81 139.91 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.807 1.243 . . . . 0.0 107.747 155.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.9 130.47 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 171.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.36 145.47 39.05 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.781 0.832 . . . . 0.0 111.374 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.86 141.81 44.19 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.772 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -132.24 102.03 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.64 -21.74 55.06 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -157.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.49 70.71 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.095 1.331 . . . . 0.0 116.188 -172.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ptm -80.02 176.17 9.98 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.154 1.477 . . . . 0.0 112.15 171.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 -37.55 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.59 1.156 . . . . 0.0 112.424 163.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -121.06 -178.15 3.68 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 123.002 1.382 . . . . 0.0 114.073 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 46.7 m -77.95 6.12 8.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.221 1.408 . . . . 0.0 114.233 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.73 -50.72 3.22 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.637 1.108 . . . . 0.0 112.746 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p -66.08 -31.63 72.62 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.797 1.18 . . . . 0.0 113.212 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.55 -42.81 99.77 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.782 2.433 . . . . 0.0 114.059 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -13.22 62.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.343 1.428 . . . . 0.0 113.427 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -47.69 -45.15 28.15 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.689 1.595 . . . . 0.0 110.632 162.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.89 -57.52 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.724 1.209 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.99 -47.81 71.04 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.392 0.996 . . . . 0.0 113.283 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -48.61 -49.37 37.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.896 1.278 . . . . 0.0 112.091 171.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.35 -41.99 19.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.06 -43.89 64.19 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.872 1.269 . . . . 0.0 111.446 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -56.09 -30.98 62.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.827 1.194 . . . . 0.0 113.22 172.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.32 31.22 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.89 17.59 0.31 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.269 19.0 ptpt 43.67 45.14 5.76 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.715 2.006 . . . . 0.0 114.623 176.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.91 11.09 0.03 OUTLIER Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.797 1.665 . . . . 0.0 116.565 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.71 130.88 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.027 1.731 . . . . 0.0 108.662 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -101.77 -19.49 15.33 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.79 120.96 2.06 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.692 1.197 . . . . 0.0 110.859 -174.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 81.3 m -112.54 131.16 55.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.082 1.353 . . . . 0.0 112.276 168.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -148.17 168.94 21.15 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.407 1.483 . . . . 0.0 110.35 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 53.5 mt -147.18 135.82 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 125.393 1.477 . . . . 0.0 110.102 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.4 m -94.44 108.91 20.82 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.27 -39.75 53.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -162.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.14 -41.5 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.8 0.84 . . . . 0.0 110.943 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.04 -5.7 57.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.394 1.478 . . . . 0.0 114.246 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.3 36.39 3.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.142 1.777 . . . . 0.0 113.46 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -134.98 137.48 43.08 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.674 1.19 . . . . 0.0 111.578 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 79.2 m -102.9 139.46 38.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.976 1.31 . . . . 0.0 111.294 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -112.14 96.57 6.11 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.104 2.162 . . . . 0.0 106.658 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -124.55 129.84 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 0.0 111.434 -175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -120.3 133.48 55.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 109.421 -172.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -150.65 134.09 16.37 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 123.311 1.529 . . . . 0.0 110.349 -160.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -70.71 159.71 33.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.597 165.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -6.5 4.98 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.292 1.437 . . . . 0.0 114.348 -172.463 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.52 -29.79 59.51 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.381 1.872 . . . . 0.0 112.389 163.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.64 159.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.966 2.107 . . . . 0.0 108.363 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.9 p -132.49 150.51 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.033 1.333 . . . . 0.0 110.884 173.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.13 69.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.139 0.576 . . . . 0.0 111.743 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.75 -23.54 64.34 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -75.49 -42.76 52.07 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.714 -0.616 . . . . 0.0 110.771 168.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.06 -43.37 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.787 -0.571 . . . . 0.0 109.7 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.91 -0.74 0.52 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 127.373 2.269 . . . . 0.0 115.093 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -119.47 -46.15 2.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.625 1.97 . . . . 0.0 109.302 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -55.02 -45.04 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.86 1.664 . . . . 0.0 112.406 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.63 -23.43 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.161 0.984 . . . . 0.0 111.977 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.61 -28.73 26.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.203 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -20.55 59.97 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 167.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.87 -11.82 60.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 113.082 163.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.7 29.68 25.96 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 118.414 -1.215 . . . . 0.0 115.547 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -116.52 -161.28 0.79 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.538 1.669 . . . . 0.0 110.651 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.44 144.76 20.99 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.283 2.233 . . . . 0.0 108.471 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.4 p -148.07 167.9 23.76 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -167.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.56 131.91 20.79 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.515 1.926 . . . . 0.0 106.405 163.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mm -72.0 108.15 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.73 -45.89 13.85 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -161.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -164.13 144.05 7.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.808 1.643 . . . . 0.0 111.896 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.29 30.89 0.1 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.306 2.242 . . . . 0.0 112.677 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 126.23 1.812 . . . . 0.0 114.446 -171.9 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 121.345 0.593 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.258 61.1 mt 45.27 95.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 129.513 3.125 . . . . 0.0 114.954 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -82.93 154.22 24.67 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.577 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -106.4 127.61 53.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.382 1.073 . . . . 0.0 109.729 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.66 147.73 46.1 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.986 1.314 . . . . 0.0 109.996 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -142.98 137.9 29.68 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.478 0.711 . . . . 0.0 109.737 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.34 138.71 41.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.305 1.442 . . . . 0.0 110.531 -172.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -97.87 112.0 24.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.256 1.023 . . . . 0.0 108.798 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.41 135.94 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.535 1.534 . . . . 0.0 108.705 -163.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.85 112.72 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.6 mtm -134.72 78.73 1.76 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.68 1.192 . . . . 0.0 109.819 -175.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.451 1.5 . . . . 0.0 112.614 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HB2' ' HG ' ' B' ' 13' ' ' CYS . 31.3 p -102.7 -158.61 0.68 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.526 2.331 . . . . 0.0 112.816 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -121.72 -22.77 5.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.406 -1.434 . . . . 0.0 114.837 -165.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.53 -12.84 64.15 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.7 1.143 . . . . 0.0 113.828 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.3 -50.48 67.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.327 1.851 . . . . 0.0 112.186 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p -59.54 -39.62 84.54 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.002 0.921 . . . . 0.0 112.018 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.03 91.59 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.464 -0.631 . . . . 0.0 112.085 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 -53.9 14.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.817 1.247 . . . . 0.0 112.431 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.23 -38.21 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 118.767 0.712 . . . . 0.0 111.266 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.31 -44.64 95.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.525 0.73 . . . . 0.0 111.428 171.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.77 -44.47 96.09 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.069 -1.019 . . . . 0.0 112.717 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.76 -38.98 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 119.58 1.082 . . . . 0.0 111.587 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.86 -30.87 61.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.5 m -67.7 -12.74 61.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.852 1.261 . . . . 0.0 112.82 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -50.92 -20.88 1.47 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.7 1.2 . . . . 0.0 113.327 161.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 mt -116.92 25.38 10.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.502 1.921 . . . . 0.0 113.449 -169.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -50.14 -32.05 5.31 Favored Pre-proline 0 N--CA 1.479 0.999 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.61 -14.05 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 CA-C-N 121.93 1.725 . . . . 0.0 114.544 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -126.45 -27.44 3.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.922 1.289 . . . . 0.0 113.895 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -90.86 121.47 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.117 1.767 . . . . 0.0 110.004 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -79.25 -45.97 18.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.56 1.144 . . . . 0.0 112.135 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -158.15 147.61 19.63 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.205 1.402 . . . . 0.0 112.207 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -121.64 143.09 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.609 1.964 . . . . 0.0 107.88 164.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -142.29 134.46 27.54 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.229 1.012 . . . . 0.0 112.185 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mm -105.5 133.62 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.178 1.391 . . . . 0.0 112.56 -170.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -124.83 73.04 1.25 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.403 1.881 . . . . 0.0 109.633 171.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.66 -45.02 90.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.975 1.71 . . . . 0.0 114.632 -164.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -72.14 -26.61 62.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.896 0.878 . . . . 0.0 111.988 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -92.81 6.01 49.15 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.933 1.693 . . . . 0.0 112.941 167.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 60.66 21.58 11.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.827 2.451 . . . . 0.0 114.717 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.31 144.73 28.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.019 1.328 . . . . 0.0 112.622 -172.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -127.85 132.76 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.329 1.852 . . . . 0.0 108.755 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.7 140.9 44.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.729 1.611 . . . . 0.0 110.579 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.7 t -135.03 144.53 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.08 1.352 . . . . 0.0 110.154 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.72 117.81 22.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.105 1.762 . . . . 0.0 110.084 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.0 154.83 13.3 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.065 -1.022 . . . . 0.0 112.993 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 m -89.08 2.9 53.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.591 1.957 . . . . 0.0 112.009 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.35 167.24 37.71 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.009 1.724 . . . . 0.0 113.46 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.12 145.66 85.16 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.576 2.85 . . . . 0.0 111.944 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.58 -45.9 90.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.764 0.826 . . . . 0.0 112.518 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.71 -35.78 75.22 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.516 1.126 . . . . 0.0 112.784 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.12 -31.49 72.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 122.122 -0.361 . . . . 0.0 111.354 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.97 -39.94 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.064 -1.022 . . . . 0.0 111.295 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.1 mt -58.23 -45.87 86.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.254 0.934 . . . . 0.0 111.406 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.99 -38.63 89.33 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.488 1.515 . . . . 0.0 113.142 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.52 -37.7 71.16 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.715 0.689 . . . . 0.0 112.34 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.87 -53.35 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.621 0.768 . . . . 0.0 110.056 171.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -59.45 -34.35 72.41 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.591 -0.693 . . . . 0.0 112.661 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -59.71 -24.08 63.69 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.1 p -66.0 -38.29 88.1 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.4 1.455 . . . . 0.0 112.74 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -6.45 77.79 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.535 1.064 . . . . 0.0 113.791 -171.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -73.65 152.24 40.55 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.363 1.082 . . . . 0.0 110.028 165.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.98 147.66 23.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.813 0.845 . . . . 0.0 112.096 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.55 129.17 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.323 1.449 . . . . 0.0 110.776 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.43 -48.7 8.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.024 1.329 . . . . 0.0 112.34 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -166.45 162.81 17.15 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.482 1.113 . . . . 0.0 111.127 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.71 167.97 26.5 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 124.061 0.839 . . . . 0.0 113.752 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -145.05 155.21 43.22 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.6 114.99 29.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.212 2.205 . . . . 0.0 106.837 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.446 -167.66 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.101 0.477 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 49.4 ttt180 -117.22 -175.75 2.86 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 127.732 2.413 . . . . 0.0 108.268 164.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 2' ' ' ARG . 61.8 mm-40 -140.35 156.63 46.35 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.765 3.226 . . . . 0.0 111.172 -167.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.59 138.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.67 2.388 . . . . 0.0 110.008 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 122.25 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.321 1.048 . . . . 0.0 109.253 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.61 146.86 35.4 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.631 1.572 . . . . 0.0 110.141 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.13 151.04 25.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.441 158.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -133.38 104.41 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.79 1.636 . . . . 0.0 107.956 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.78 -17.04 32.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.041 1.336 . . . . 0.0 112.741 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 -4.1 73.32 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.989 1.28 . . . . 0.0 115.273 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.5 ptp -86.5 161.55 18.52 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.66 1.23 . . . . 0.0 112.474 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -162.78 -43.81 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.196 1.399 . . . . 0.0 113.21 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' CYS . . . . . 0.411 ' HG ' ' HB2' ' A' ' 15' ' ' CYS . 24.5 p -84.51 -90.6 0.09 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.044 1.338 . . . . 0.0 114.401 -163.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 13.1 p -165.51 -81.97 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.068 1.347 . . . . 0.0 112.475 -168.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -14.53 63.06 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.806 1.242 . . . . 0.0 114.238 -167.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.7 m -55.68 -29.42 59.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.27 1.428 . . . . 0.0 114.621 163.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.1 p -64.57 -50.38 67.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 119.397 0.999 . . . . 0.0 110.875 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -28.25 69.04 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 118.089 -0.957 . . . . 0.0 111.754 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.4 m -55.16 -34.54 63.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.273 0.942 . . . . 0.0 110.896 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.84 -49.75 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.621 1.1 . . . . 0.0 110.693 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -65.18 -49.27 70.42 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.973 1.261 . . . . 0.0 112.067 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.6 m -50.43 -33.2 20.06 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.39 1.076 . . . . 0.0 113.5 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -86.84 -49.67 7.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.972 1.26 . . . . 0.0 113.994 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.64 -37.81 82.95 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.287 0.949 . . . . 0.0 111.558 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -55.39 -27.09 45.36 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.661 1.118 . . . . 0.0 113.183 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.41 -0.24 55.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.726 1.61 . . . . 0.0 114.551 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -81.43 98.84 8.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 158.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.26 111.95 1.23 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.982 -0.449 . . . . 0.0 110.133 -173.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.3 -18.02 8.38 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.29 1.424 . . . . 0.0 114.775 -169.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.34 124.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.613 2.206 . . . . 0.0 108.862 166.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -40.21 9.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.003 1.321 . . . . 0.0 111.304 -169.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -163.81 134.41 4.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.564 1.146 . . . . 0.0 111.576 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.46 118.08 33.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.44 1.496 . . . . 0.0 111.348 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -110.1 148.33 31.94 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.309 1.844 . . . . 0.0 110.236 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -145.67 142.78 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.266 1.826 . . . . 0.0 109.973 -167.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 118.66 21.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.708 1.203 . . . . 0.0 110.448 163.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -78.02 -38.09 45.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.598 1.959 . . . . 0.0 111.336 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.22 -32.78 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.0 0.818 . . . . 0.0 112.08 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -106.86 -4.81 18.82 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.462 1.905 . . . . 0.0 113.598 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 68.57 39.93 2.0 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.444 1.897 . . . . 0.0 113.345 170.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -139.51 164.87 28.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.863 1.665 . . . . 0.0 112.676 -170.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -153.44 148.07 26.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.905 0.882 . . . . 0.0 113.045 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -121.22 109.83 15.43 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.037 1.735 . . . . 0.0 107.968 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.53 128.64 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.556 1.542 . . . . 0.0 110.435 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 53.6 m -109.55 132.92 53.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.477 1.911 . . . . 0.0 106.606 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.22 127.14 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 123.665 1.698 . . . . 0.0 113.261 -163.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -68.31 163.99 21.74 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.728 2.411 . . . . 0.0 113.397 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.16 -4.18 9.57 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -169.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.77 -10.27 59.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.511 1.524 . . . . 0.0 113.226 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.4 155.18 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.737 2.015 . . . . 0.0 109.968 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.6 p -124.22 154.5 40.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.004 1.322 . . . . 0.0 112.388 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.78 67.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.38 -18.48 55.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.137 0.88 . . . . 0.0 112.724 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -72.03 -50.49 28.04 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.17 164.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.95 -51.55 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.845 0.858 . . . . 0.0 110.619 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.89 20.15 0.08 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -135.97 -37.27 0.73 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.328 1.851 . . . . 0.0 110.254 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mm -61.25 -42.92 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.543 1.137 . . . . 0.0 111.623 168.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.3 -24.59 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.045 0.839 . . . . 0.0 111.015 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -83.76 -32.41 25.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.17 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.21 -14.76 60.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.691 1.196 . . . . 0.0 112.961 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -74.12 -11.91 60.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.99 0.916 . . . . 0.0 112.445 161.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 11.07 59.82 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.714 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.16 -152.24 0.28 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.99 1.395 . . . . 0.0 110.657 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.95 149.43 28.21 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 127.207 2.203 . . . . 0.0 105.665 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -156.58 176.91 12.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.533 0.682 . . . . 0.0 112.74 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -163.3 140.52 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.641 1.176 . . . . 0.0 108.455 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 99.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.1 -48.32 11.51 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.737 1.215 . . . . 0.0 108.443 -165.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -152.56 166.58 31.61 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.661 1.585 . . . . 0.0 110.113 165.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -77.41 6.69 6.47 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 126.864 2.066 . . . . 0.0 115.496 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.253 1.285 0 C-N-CA 131.537 3.935 . . . . 0.0 113.273 -179.578 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.71 120.61 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -91.68 162.67 14.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.279 1.832 . . . . 0.0 110.856 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.38 131.71 45.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.628 1.571 . . . . 0.0 110.441 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -136.48 155.63 49.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.052 1.341 . . . . 0.0 112.137 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -131.11 155.51 46.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.637 1.175 . . . . 0.0 110.554 164.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 148.39 48.37 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.812 2.045 . . . . 0.0 109.24 170.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -111.77 127.79 55.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.377 166.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.72 147.23 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.825 1.65 . . . . 0.0 109.208 -165.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -72.05 85.93 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.33 0.652 . . . . 0.0 109.276 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.6 tpp -92.96 112.23 24.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.101 1.36 . . . . 0.0 109.925 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 p -96.65 -24.17 16.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -176.72 167.74 2.6 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.121 1.769 . . . . 0.0 112.59 -162.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.59 -25.18 62.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.641 1.176 . . . . 0.0 113.312 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.71 -26.04 68.28 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.095 0.855 . . . . 0.0 113.512 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -68.23 -57.43 6.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.668 1.187 . . . . 0.0 109.37 168.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -52.05 -42.64 63.3 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.703 1.201 . . . . 0.0 112.407 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.03 68.87 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-O 118.909 -0.939 . . . . 0.0 113.273 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.36 65.99 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.019 0.91 . . . . 0.0 111.066 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.59 -51.09 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.616 0.767 . . . . 0.0 110.294 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.27 -44.7 84.18 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.72 -0.613 . . . . 0.0 112.171 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -66.42 -26.63 67.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.87 -41.81 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 120.846 -1.159 . . . . 0.0 111.457 168.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.04 -27.91 43.18 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -61.53 -18.02 57.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 121.012 1.733 . . . . 0.0 113.619 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -61.05 -17.7 53.82 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.843 1.257 . . . . 0.0 113.869 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.34 13.42 14.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.257 1.423 . . . . 0.0 114.075 -168.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.59 -24.39 1.42 Allowed Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -62.96 -21.0 72.92 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 CA-C-N 121.968 1.739 . . . . 0.0 114.009 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -119.98 -32.78 4.12 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.877 1.671 . . . . 0.0 113.179 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -87.32 121.16 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.81 1.644 . . . . 0.0 109.333 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.7 p -102.46 -22.48 14.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -153.16 143.79 22.68 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.63 1.172 . . . . 0.0 112.016 170.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.41 149.04 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.664 1.985 . . . . 0.0 108.31 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -150.84 117.0 5.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.464 1.106 . . . . 0.0 111.375 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.58 130.15 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.533 1.133 . . . . 0.0 110.958 -170.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -109.09 157.76 18.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.001 0.92 . . . . 0.0 111.769 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -106.86 -58.26 1.96 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.066 0.946 . . . . 0.0 109.473 173.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.68 -39.37 80.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.095 1.358 . . . . 0.0 112.371 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -91.47 1.01 57.43 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.22 4.04 0.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.733 2.413 . . . . 0.0 115.465 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.277 0.8 OUTLIER -102.21 150.36 23.37 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -121.07 134.67 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 127.938 2.495 . . . . 0.0 107.687 173.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.14 130.98 53.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.203 1.801 . . . . 0.0 110.028 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.46 142.92 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.725 0.81 . . . . 0.0 112.099 -168.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -122.01 130.85 53.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.374 1.869 . . . . 0.0 111.222 162.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.5 t -166.25 153.48 9.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 111.806 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 p -74.14 -10.54 59.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.233 1.813 . . . . 0.0 113.475 169.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.98 152.36 79.67 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.655 1.182 . . . . 0.0 113.768 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.53 153.15 60.44 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.716 2.944 . . . . 0.0 111.727 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.76 -39.24 76.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -169.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.17 -38.59 80.14 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.365 1.066 . . . . 0.0 113.266 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.0 -41.56 83.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.074 0.55 . . . . 0.0 111.421 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mm -70.33 -40.95 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.503 0.721 . . . . 0.0 110.932 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.24 -47.61 78.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.112 0.565 . . . . 0.0 110.665 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -71.66 -23.15 61.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.16 -53.46 37.29 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.804 1.184 . . . . 0.0 110.757 161.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.66 -39.08 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.389 0.995 . . . . 0.0 112.305 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -69.17 -25.95 64.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.469 1.108 . . . . 0.0 112.136 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -79.33 -25.51 42.31 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.972 -1.08 . . . . 0.0 113.907 167.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.8 m -73.39 -29.69 62.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.172 1.789 . . . . 0.0 114.312 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.44 -7.94 63.17 Favored Glycine 0 N--CA 1.476 1.347 0 N-CA-C 117.126 1.611 . . . . 0.0 117.126 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 149.65 27.14 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.18 1.49 . . . . 0.0 110.491 167.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.95 138.11 31.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.386 0.613 . . . . 0.0 111.638 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.03 144.07 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.921 2.088 . . . . 0.0 109.667 -170.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -115.29 -38.53 3.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.903 1.281 . . . . 0.0 114.138 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -169.32 -177.21 2.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.544 1.138 . . . . 0.0 111.279 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.34 158.52 13.34 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.136 1.351 . . . . 0.0 113.188 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.54 159.33 39.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.23 145.57 24.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.067 1.347 . . . . 0.0 109.989 163.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.254 1.299 0 C-N-CA 124.697 1.199 . . . . 0.0 113.266 -178.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 121.052 0.453 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -94.07 94.72 8.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.04 2.136 . . . . 0.0 110.416 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.56 132.04 52.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.769 1.228 . . . . 0.0 109.812 164.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.63 151.51 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.8 1.64 . . . . 0.0 110.559 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.98 130.74 66.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.2 1.0 . . . . 0.0 109.231 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.34 145.48 46.13 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.208 1.403 . . . . 0.0 110.076 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.49 140.13 31.69 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.035 163.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.8 t -124.59 118.58 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 126.054 1.742 . . . . 0.0 108.431 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -84.77 28.81 0.65 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.92 1.688 . . . . 0.0 114.156 -166.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.09 29.37 0.36 Allowed Glycine 0 N--CA 1.475 1.247 0 O-C-N 120.74 -1.225 . . . . 0.0 116.017 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mmm -77.13 83.84 3.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.881 1.272 . . . . 0.0 112.24 -171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -80.89 -61.47 1.95 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.762 1.625 . . . . 0.0 113.723 -171.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -153.93 -178.74 7.27 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.915 1.286 . . . . 0.0 112.376 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 60.5 m -69.17 -41.26 77.45 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.63 -1.294 . . . . 0.0 112.499 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.19 68.56 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.599 0.76 . . . . 0.0 112.505 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.6 m -71.26 -45.4 63.26 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.362 1.065 . . . . 0.0 113.342 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.4 p -95.29 -34.73 12.07 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 116.288 -1.815 . . . . 0.0 115.582 -157.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -18.38 64.44 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.547 2.43 . . . . 0.0 112.275 174.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -50.04 -38.06 36.03 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.579 1.152 . . . . 0.0 111.616 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.45 -50.69 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -48.72 80.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.343 -0.836 . . . . 0.0 112.291 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.5 m -54.5 -33.88 60.67 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 120.156 1.343 . . . . 0.0 113.53 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -89.02 -36.3 15.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.28 -42.13 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.408 1.003 . . . . 0.0 111.651 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.15 -19.96 36.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.688 0.795 . . . . 0.0 112.658 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.5 -12.77 60.03 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.74 123.86 28.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.483 1.038 . . . . 0.0 110.965 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.43 103.37 1.02 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.352 1.461 . . . . 0.0 110.49 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.56 -2.65 18.05 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.619 1.581 . . . . 0.0 115.992 -173.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.03 136.56 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 120.236 2.018 . . . . 0.0 109.481 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -103.24 -35.58 8.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 0.0 112.403 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -157.48 138.59 13.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.788 1.635 . . . . 0.0 110.635 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 p -137.25 146.17 44.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.358 1.463 . . . . 0.0 111.283 172.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -168.66 -179.46 3.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.211 1.404 . . . . 0.0 112.503 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.36 167.03 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 126.522 1.929 . . . . 0.0 112.95 -173.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 71.6 m -153.38 124.26 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.124 1.37 . . . . 0.0 111.033 171.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.53 -39.15 67.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.1 1.36 . . . . 0.0 114.033 -172.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -69.63 -27.34 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.593 1.088 . . . . 0.0 112.687 -168.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -111.15 5.78 20.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.853 1.661 . . . . 0.0 112.693 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 62.37 38.81 12.75 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.868 1.667 . . . . 0.0 112.987 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.41 157.06 30.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -166.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 t -114.07 135.01 54.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.964 2.106 . . . . 0.0 109.327 167.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -118.09 110.6 17.83 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.62 1.968 . . . . 0.0 105.939 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.72 144.21 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.744 0.818 . . . . 0.0 112.712 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -136.16 138.12 41.64 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.32 1.848 . . . . 0.0 107.495 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -156.47 145.46 20.32 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.92 1.819 . . . . 0.0 111.059 -167.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.55 165.66 21.89 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.963 2.505 . . . . 0.0 113.556 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -60.35 -9.46 3.56 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.21 2.04 48.52 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.886 1.274 . . . . 0.0 113.113 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.86 161.71 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.987 2.115 . . . . 0.0 109.832 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -146.34 146.94 30.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.736 1.614 . . . . 0.0 111.745 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.05 -25.67 65.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.659 1.184 . . . . 0.0 113.614 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.43 -20.82 62.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.235 1.014 . . . . 0.0 112.882 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -72.94 -42.87 62.98 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.62 -0.675 . . . . 0.0 110.698 165.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.8 -36.99 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.228 -0.92 . . . . 0.0 110.497 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -58.87 -15.67 13.72 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -99.79 -41.72 7.14 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.067 1.747 . . . . 0.0 109.192 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 mm -58.86 -47.05 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.409 1.484 . . . . 0.0 112.732 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.33 -26.85 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 118.912 0.778 . . . . 0.0 110.714 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.22 -32.28 55.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.023 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.24 -31.81 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.769 1.168 . . . . 0.0 112.716 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.8 m -70.79 -13.91 62.23 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.964 1.306 . . . . 0.0 113.68 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.98 26.3 19.66 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.19 0.9 . . . . 0.0 114.539 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -127.72 -154.98 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.374 1.47 . . . . 0.0 108.967 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -163.64 148.71 10.88 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.831 1.652 . . . . 0.0 108.427 173.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.8 p -138.95 165.99 25.65 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -137.63 139.26 40.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.643 1.977 . . . . 0.0 107.783 168.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 13.4 tt -72.97 111.74 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.45 -35.27 19.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.188 0.995 . . . . 0.0 109.2 -164.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -170.62 162.99 8.12 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.99 1.716 . . . . 0.0 111.378 167.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.61 27.66 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.259 2.624 . . . . 0.0 114.146 168.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . 0.253 54.2 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 129.556 3.142 . . . . 0.0 114.489 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.5 mt 63.28 135.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 129.638 3.175 . . . . 0.0 114.935 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.8 162.86 15.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 111.4 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -150.34 133.61 16.32 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.499 -1.376 . . . . 0.0 113.569 -169.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -145.7 158.14 43.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.915 1.286 . . . . 0.0 112.975 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -128.73 130.02 46.53 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.514 1.526 . . . . 0.0 110.66 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -121.91 140.61 52.21 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.106 1.362 . . . . 0.0 111.56 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -91.42 129.86 37.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.939 1.296 . . . . 0.0 111.339 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 t -118.35 141.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.043 1.737 . . . . 0.0 109.997 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.19 110.47 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.201 1.401 . . . . 0.0 107.696 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.4 mmt -79.79 127.93 32.82 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.136 0.575 . . . . 0.0 110.385 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -129.98 -84.73 0.54 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.524 2.33 . . . . 0.0 107.15 -171.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.95 -170.93 2.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.377 1.871 . . . . 0.0 112.518 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 m -70.97 -8.29 52.16 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 166.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.91 -50.73 4.79 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 125.592 1.568 . . . . 0.0 112.749 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -61.21 -40.56 94.44 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.8 1.3 . . . . 0.0 112.496 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -68.33 -25.39 65.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.68 0.792 . . . . 0.0 113.131 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -43.45 56.34 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 121.273 -0.892 . . . . 0.0 111.707 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.57 66.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.57 1.148 . . . . 0.0 112.657 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 p -62.08 -40.24 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.721 0.691 . . . . 0.0 111.73 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.18 -40.41 81.42 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.526 -0.734 . . . . 0.0 111.397 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.83 -34.85 77.53 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.506 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.72 -48.93 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 119.799 1.181 . . . . 0.0 111.05 172.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.57 -24.32 49.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.698 0.799 . . . . 0.0 113.11 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 m -74.1 -10.75 59.93 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.44 1.496 . . . . 0.0 112.535 173.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -70.41 -18.59 63.02 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.626 -1.296 . . . . 0.0 113.042 167.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 mt -114.4 30.77 7.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.57 1.548 . . . . 0.0 113.236 -164.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -53.25 -42.84 93.33 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 -164.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.86 -6.51 18.22 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 CA-C-N 122.205 1.823 . . . . 0.0 112.718 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -117.51 -26.34 6.67 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.371 1.068 . . . . 0.0 112.87 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -109.11 113.61 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.391 1.877 . . . . 0.0 108.832 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -88.87 -29.3 19.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 37' ' ' ASP . 44.5 tptt -154.03 140.5 18.77 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.262 1.025 . . . . 0.0 113.132 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -129.81 141.6 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 127.173 2.189 . . . . 0.0 107.756 172.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -152.91 142.96 22.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.196 0.998 . . . . 0.0 110.336 165.282 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -112.61 145.35 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.143 1.377 . . . . 0.0 110.859 -173.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m -129.85 86.58 2.42 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.372 1.469 . . . . 0.0 111.112 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.77 -45.35 78.15 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -68.89 -42.73 76.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.422 1.01 . . . . 0.0 111.818 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.45 -15.62 62.34 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.169 1.388 . . . . 0.0 113.271 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 70.63 22.9 4.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.616 2.366 . . . . 0.0 112.799 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.3 mt -112.53 161.32 16.89 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.619 1.568 . . . . 0.0 113.814 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.21 137.25 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.154 2.182 . . . . 0.0 108.56 165.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -103.25 133.05 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.929 1.692 . . . . 0.0 109.815 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.14 138.59 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.473 1.109 . . . . 0.0 110.653 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.16 136.75 52.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.039 1.736 . . . . 0.0 110.913 169.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -171.52 156.86 4.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.942 0.897 . . . . 0.0 112.037 -166.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.9 p -86.67 -7.79 58.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.474 1.51 . . . . 0.0 113.052 168.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.29 147.05 78.92 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.842 1.257 . . . . 0.0 111.657 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.82 155.02 30.55 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.299 2.666 . . . . 0.0 111.868 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.15 -40.08 92.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.444 0.698 . . . . 0.0 112.584 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.03 -10.81 24.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.729 1.611 . . . . 0.0 113.993 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.27 -43.44 6.6 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.511 1.124 . . . . 0.0 111.703 167.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.48 -35.71 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -51.45 -52.5 45.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.082 1.353 . . . . 0.0 111.604 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -74.03 -11.59 60.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.767 1.627 . . . . 0.0 114.154 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -85.37 -44.26 12.95 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.21 1.004 . . . . 0.0 112.805 162.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 tt -80.26 -38.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.375 0.988 . . . . 0.0 113.396 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.92 -26.98 65.36 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.113 1.324 . . . . 0.0 112.461 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -61.21 -3.79 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 p -54.82 -60.68 3.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.621 1.568 . . . . 0.0 112.229 164.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.96 6.74 55.9 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 124.636 1.112 . . . . 0.0 115.876 -176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -162.87 152.04 15.09 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.691 1.246 . . . . 0.0 113.196 167.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.316 81.8 mt-10 71.46 17.63 5.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 152.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 t -112.52 134.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.067 1.347 . . . . 0.0 108.598 161.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -102.57 -45.04 5.16 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -173.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -172.56 169.28 5.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.389 1.075 . . . . 0.0 111.176 -167.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.47 179.23 28.28 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 124.296 0.951 . . . . 0.0 114.023 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -176.54 165.03 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.403 1.881 . . . . 0.0 113.616 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -92.21 133.53 35.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.81 1.244 . . . . 0.0 110.023 161.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.675 1.59 . . . . 0.0 113.324 -176.44 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.55 98.91 1.54 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 126.24 1.816 . . . . 0.0 110.729 -177.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.39 166.38 16.82 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.597 2.359 . . . . 0.0 112.666 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.2 p -177.03 141.63 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 127.939 2.496 . . . . 0.0 110.233 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -116.47 136.16 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 164.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.407 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 4.5 pp -133.58 142.94 48.38 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.668 0.787 . . . . 0.0 110.83 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.47 144.07 26.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.124 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.23 113.87 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 125.486 1.514 . . . . 0.0 107.803 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -78.57 -19.78 52.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.692 -0.63 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.37 -1.62 55.64 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.319 1.287 . . . . 0.0 116.319 -173.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 6.7 ptp -72.36 138.53 47.32 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.901 1.85 . . . . 0.0 112.054 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -174.71 -176.94 1.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 128.97 2.908 . . . . 0.0 108.055 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 69.29 -163.73 0.18 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.771 2.428 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -127.45 -2.16 6.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.962 2.105 . . . . 0.0 112.547 163.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.85 -39.41 5.57 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.293 1.837 . . . . 0.0 112.039 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -67.45 -33.07 74.38 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.373 1.069 . . . . 0.0 113.649 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -57.55 -45.94 84.5 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 126.234 1.814 . . . . 0.0 112.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.85 60.19 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -53.7 -33.31 55.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.271 1.028 . . . . 0.0 110.849 168.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.2 -53.31 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.866 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -55.87 -50.8 69.64 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.606 1.094 . . . . 0.0 112.843 172.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -46.21 -48.94 17.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.809 1.243 . . . . 0.0 111.64 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.83 -45.63 14.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.973 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.22 -41.48 98.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.578 1.536 . . . . 0.0 111.832 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -70.36 -1.57 10.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.03 -6.71 22.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.205 1.402 . . . . 0.0 114.334 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -81.72 3.99 23.54 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 45.98 30.81 0.97 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.888 2.475 . . . . 0.0 115.374 176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.66 -12.66 0.16 Allowed Glycine 0 CA--C 1.541 1.665 0 C-N-CA 126.705 2.098 . . . . 0.0 117.192 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.69 143.48 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 127.12 2.168 . . . . 0.0 110.329 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -109.24 -31.39 7.59 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.654 1.182 . . . . 0.0 113.311 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -135.04 142.35 46.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.66 1.584 . . . . 0.0 111.176 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 p -160.75 119.15 2.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.814 1.246 . . . . 0.0 113.266 170.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -150.43 -174.53 4.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.169 2.188 . . . . 0.0 110.456 171.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 pt -146.17 163.24 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.509 1.924 . . . . 0.0 113.649 -164.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.3 t -134.15 121.86 22.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.818 1.247 . . . . 0.0 109.353 162.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.55 -32.32 60.38 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.556 1.143 . . . . 0.0 113.351 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.72 -38.02 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 119.846 1.203 . . . . 0.0 111.783 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.0 p -99.88 0.31 41.08 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.68 1.592 . . . . 0.0 113.0 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.423 0.2 OUTLIER 40.09 50.49 2.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.956 2.502 . . . . 0.0 115.831 -170.569 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.59 156.05 22.39 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.535 1.534 . . . . 0.0 112.978 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 60.4 m -112.59 135.78 52.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.4 1.48 . . . . 0.0 110.576 164.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -107.32 104.2 13.74 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.855 2.062 . . . . 0.0 105.996 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.02 147.74 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.571 1.548 . . . . 0.0 111.412 -169.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -151.06 135.83 17.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 109.201 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -154.45 -168.43 2.92 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.384 1.474 . . . . 0.0 110.662 -167.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.36 174.36 13.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.655 2.382 . . . . 0.0 112.496 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -56.9 -12.5 2.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.975 2.584 . . . . 0.0 117.975 -161.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.0 -7.27 33.92 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.049 1.339 . . . . 0.0 113.213 169.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 169.32 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.501 1.52 . . . . 0.0 110.612 166.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -142.26 149.5 39.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 111.641 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.31 51.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.929 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.88 -20.86 61.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.718 0.807 . . . . 0.0 113.022 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -81.68 -41.62 21.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.189 0.996 . . . . 0.0 110.512 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.47 -44.91 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 121.321 -0.862 . . . . 0.0 111.093 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -68.49 -5.55 20.05 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -97.26 -50.36 4.59 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 120.83 -1.169 . . . . 0.0 107.937 172.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 mm -54.2 -50.22 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.602 1.961 . . . . 0.0 113.617 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.31 -26.58 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 118.705 0.684 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -83.68 -24.65 31.21 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 172.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -77.46 -19.27 56.22 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.234 1.414 . . . . 0.0 113.278 170.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.49 -17.25 64.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 112.702 162.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.2 27.6 22.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.482 1.039 . . . . 0.0 113.996 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -107.62 -161.41 0.78 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.024 1.412 . . . . 0.0 110.363 168.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -162.27 141.7 9.51 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 127.477 2.311 . . . . 0.0 107.323 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.1 p -158.92 155.46 27.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -156.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.73 136.0 54.18 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.478 1.511 . . . . 0.0 108.305 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm -77.22 83.13 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.268 0.3 OUTLIER -66.48 -36.6 83.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.05 -155.383 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -171.27 132.93 0.82 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.002 2.521 . . . . 0.0 110.511 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.44 41.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 129.713 3.205 . . . . 0.0 114.64 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m . . . . . 0 N--CA 1.483 1.181 0 O-C-N 119.78 -1.825 . . . . 0.0 112.437 -177.727 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 CA--C 1.549 0.934 0 CA-C-O 121.096 0.474 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.64 140.74 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.993 1.717 . . . . 0.0 111.531 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -109.13 159.54 16.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.157 1.383 . . . . 0.0 112.491 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -113.49 135.61 53.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.37 1.468 . . . . 0.0 111.31 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -131.33 153.46 49.58 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.506 1.523 . . . . 0.0 110.339 173.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -139.66 121.13 15.08 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.661 0.743 . . . . 0.0 110.582 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -111.95 139.66 47.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.208 1.403 . . . . 0.0 110.286 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -94.16 131.84 39.31 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.676 1.19 . . . . 0.0 108.161 160.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -142.7 142.33 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.903 1.229 . . . . 0.0 110.797 -167.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.75 128.15 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.748 0.819 . . . . 0.0 110.649 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.8 mtm -140.88 128.38 21.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.544 1.137 . . . . 0.0 110.8 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.83 -43.26 20.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 113.608 -175.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.12 179.25 9.2 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.778 1.631 . . . . 0.0 113.267 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -60.02 -11.22 5.34 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.306 1.842 . . . . 0.0 115.846 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -30.83 11.47 Favored Glycine 0 N--CA 1.471 1.01 0 C-N-CA 124.745 1.164 . . . . 0.0 112.355 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.78 -46.86 73.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.711 1.205 . . . . 0.0 111.535 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p -58.25 -29.34 65.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.316 1.046 . . . . 0.0 112.949 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.61 -40.34 32.4 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.358 0.98 . . . . 0.0 112.915 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.33 92.11 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.215 1.008 . . . . 0.0 111.646 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 -49.62 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.168 0.587 . . . . 0.0 110.157 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -54.16 -42.8 70.02 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.765 0.711 . . . . 0.0 112.644 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -58.34 -36.05 72.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.158 0.983 . . . . 0.0 112.788 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.72 -50.02 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.953 0.797 . . . . 0.0 111.181 171.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.41 -31.9 70.83 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.4 m -50.44 -32.92 19.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.805 1.242 . . . . 0.0 113.209 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.2 -28.3 67.86 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.81 -4.5 30.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.135 1.374 . . . . 0.0 114.03 -171.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.93 -30.46 4.79 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.63 -25.1 57.75 Favored 'Trans proline' 0 C--N 1.354 0.824 0 CA-C-N 122.31 1.861 . . . . 0.0 114.541 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.17 -12.81 5.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -91.88 114.33 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.251 1.42 . . . . 0.0 108.593 164.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -81.73 -29.26 33.0 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -160.43 135.62 7.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.784 1.234 . . . . 0.0 111.897 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -136.74 154.5 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.861 1.664 . . . . 0.0 111.631 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -152.86 112.51 3.9 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.433 1.093 . . . . 0.0 111.808 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -97.18 127.04 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.753 2.021 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -124.34 108.2 11.95 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.949 1.3 . . . . 0.0 113.34 -173.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.86 131.87 35.97 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.95 0.9 . . . . 0.0 111.583 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 107.39 -46.4 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 131.535 3.934 . . . . 0.0 110.657 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -85.46 -7.51 58.88 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.371 -0.83 . . . . 0.0 112.926 168.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 59.43 25.44 14.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 128.578 2.751 . . . . 0.0 116.112 170.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -101.64 153.68 19.55 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.969 -174.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.57 119.64 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 127.004 2.122 . . . . 0.0 108.47 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 138.72 31.27 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.579 1.152 . . . . 0.0 109.713 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -135.75 139.12 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.397 1.079 . . . . 0.0 110.693 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -126.5 126.49 43.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.872 1.669 . . . . 0.0 110.116 166.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -168.61 164.03 12.28 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.006 0.923 . . . . 0.0 112.999 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.8 p -88.91 -14.69 36.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.755 1.622 . . . . 0.0 113.041 163.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.12 155.38 87.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.447 1.099 . . . . 0.0 112.819 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.4 146.93 86.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.351 2.701 . . . . 0.0 113.52 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.01 -47.5 82.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.462 0.705 . . . . 0.0 111.94 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.48 -27.2 69.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.77 1.228 . . . . 0.0 113.032 174.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.47 -48.75 59.74 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.414 -0.804 . . . . 0.0 110.502 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.764 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -52.22 -47.86 65.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.025 0.93 . . . . 0.0 111.976 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.35 -36.35 82.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.145 1.378 . . . . 0.0 114.125 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -72.3 -37.87 68.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.992 1.269 . . . . 0.0 112.153 175.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.34 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.996 0.918 . . . . 0.0 110.207 172.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -44.47 -49.4 9.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.215 1.406 . . . . 0.0 111.983 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.98 -12.83 54.41 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -74.48 -10.62 59.74 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.114 1.324 . . . . 0.0 114.208 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.44 -10.89 60.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.711 1.148 . . . . 0.0 113.751 -172.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -84.97 131.85 34.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.751 1.275 . . . . 0.0 109.383 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.76 141.53 34.69 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 111.854 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.2 124.61 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -82.39 -38.9 23.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.956 1.303 . . . . 0.0 110.945 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -172.4 132.82 0.62 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.567 1.147 . . . . 0.0 113.016 169.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.81 143.47 16.01 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 124.298 0.951 . . . . 0.0 113.739 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -125.63 149.4 48.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.535 1.134 . . . . 0.0 112.468 167.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -94.16 135.99 34.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.587 1.955 . . . . 0.0 108.395 158.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.917 1.687 . . . . 0.0 112.284 -176.663 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.53 130.21 17.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.711 1.204 . . . . 0.0 111.037 166.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.6 127.64 32.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.93 2.092 . . . . 0.0 110.684 165.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.75 137.36 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.074 1.75 . . . . 0.0 108.414 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mm -116.85 127.17 74.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.5 141.97 47.71 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.061 0.545 . . . . 0.0 110.028 176.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.04 126.03 37.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.64 107.75 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.953 1.301 . . . . 0.0 108.071 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -73.19 -15.73 61.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 112.83 -172.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.6 12.09 27.89 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.955 1.741 . . . . 0.0 116.056 -173.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 10.3 ptp -93.04 144.59 25.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.885 1.843 . . . . 0.0 111.858 172.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -173.89 -25.56 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.761 1.624 . . . . 0.0 113.472 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.97 152.1 38.79 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.718 1.207 . . . . 0.0 111.902 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 75.0 m -82.26 -12.67 57.92 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 -26.65 6.95 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.853 1.261 . . . . 0.0 114.079 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.96 -14.52 61.73 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -66.7 -55.79 13.54 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.154 1.381 . . . . 0.0 111.954 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -71.28 -3.31 19.75 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.023 0.829 . . . . 0.0 113.205 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -56.43 -40.19 74.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.011 0.924 . . . . 0.0 110.137 160.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.85 -50.39 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.97 -45.06 83.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 85.2 m -57.01 -26.59 60.51 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.021 1.329 . . . . 0.0 113.274 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.98 -49.12 6.96 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.484 1.038 . . . . 0.0 112.004 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.34 -46.32 90.32 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.121 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -55.58 -25.5 38.58 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.85 -1.49 56.71 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.649 1.58 . . . . 0.0 113.956 -176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.93 121.03 20.33 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.55 1.068 . . . . 0.0 110.122 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.37 104.12 0.16 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.167 0.987 . . . . 0.0 111.574 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.46 -28.29 3.82 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.77 1.653 . . . . 0.0 113.624 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.73 121.81 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.872 1.336 . . . . 0.0 110.273 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.4 p -93.62 -41.52 9.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.534 1.133 . . . . 0.0 111.058 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.1 151.1 46.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.805 1.642 . . . . 0.0 111.821 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 45.3 t -156.83 134.27 10.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.882 1.273 . . . . 0.0 110.125 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.48 176.0 12.14 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.357 1.863 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -151.03 136.66 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 125.91 1.684 . . . . 0.0 110.108 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 m -127.58 118.52 24.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.476 1.111 . . . . 0.0 111.47 170.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.43 -28.58 68.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.658 1.583 . . . . 0.0 114.112 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.28 -41.49 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 119.663 1.12 . . . . 0.0 112.023 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 p -108.81 -1.64 19.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.88 1.672 . . . . 0.0 113.393 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 65.12 37.46 6.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.886 2.074 . . . . 0.0 112.314 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.13 136.75 48.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.576 1.15 . . . . 0.0 113.158 -168.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.95 123.6 37.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.395 1.078 . . . . 0.0 109.698 165.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -106.35 79.33 1.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.627 1.971 . . . . 0.0 108.689 -171.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -109.0 145.17 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.137 0.975 . . . . 0.0 111.369 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -144.03 134.29 24.43 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.289 1.435 . . . . 0.0 108.193 -168.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -167.99 148.83 5.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 122.899 1.333 . . . . 0.0 112.107 -160.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.49 162.05 13.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.323 -1.762 . . . . 0.0 112.196 150.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.284 0.5 OUTLIER 108.7 160.09 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 131.528 3.931 . . . . 0.0 112.614 177.251 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.6 -24.85 15.16 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.798 2.439 . . . . 0.0 117.009 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 140.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 120.163 1.347 . . . . 0.0 114.34 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -94.81 148.35 22.39 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.738 1.615 . . . . 0.0 112.826 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.31 68.29 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 171.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.34 -31.95 70.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.132 1.373 . . . . 0.0 113.105 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -86.18 -39.74 16.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.297 1.039 . . . . 0.0 112.64 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.87 -40.48 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 118.797 0.726 . . . . 0.0 110.204 174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -46.38 -40.15 11.55 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.668 1.187 . . . . 0.0 113.885 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -74.34 -28.07 60.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.34 1.456 . . . . 0.0 110.645 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.87 -43.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.0 1.32 . . . . 0.0 110.61 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.54 -33.32 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.192 0.597 . . . . 0.0 110.03 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.32 -35.52 73.7 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.411 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.78 -18.6 64.22 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -73.19 -15.9 61.44 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.935 0.894 . . . . 0.0 112.592 166.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.25 13.25 29.2 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.653 1.597 . . . . 0.0 115.106 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -103.58 -153.47 0.48 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.195 1.497 . . . . 0.0 110.401 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -161.76 141.12 9.92 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.995 1.318 . . . . 0.0 109.038 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.3 p -172.13 169.91 5.39 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -159.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -165.86 158.57 15.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 129.135 2.974 . . . . 0.0 107.465 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.3 tt -51.84 134.11 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.841 0.829 . . . . 0.0 112.223 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -57.38 2.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.715 1.206 . . . . 0.0 107.912 171.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -176.34 164.71 2.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.516 2.327 . . . . 0.0 108.791 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -98.63 98.75 9.87 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.158 0.983 . . . . 0.0 111.136 167.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.611 1.964 . . . . 0.0 113.67 179.712 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 86.11 14.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.039 2.536 . . . . 0.0 114.02 174.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.35 131.37 35.46 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.583 1.153 . . . . 0.0 111.018 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -77.62 128.81 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.159 0.983 . . . . 0.0 111.237 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -108.14 156.1 19.68 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.718 1.607 . . . . 0.0 111.059 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.2 127.21 54.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.077 0.951 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.51 147.07 50.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.997 1.319 . . . . 0.0 111.114 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -140.09 124.65 18.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.518 0.727 . . . . 0.0 111.181 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -113.84 133.61 55.31 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.118 1.367 . . . . 0.0 110.074 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -95.89 120.99 37.15 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.701 1.2 . . . . 0.0 108.652 165.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.95 139.53 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.523 . . . . 0.0 109.159 -168.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.67 115.4 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.9 mtm -138.92 116.08 11.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.53 0.732 . . . . 0.0 112.092 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.4 m -83.92 -62.43 1.57 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.053 1.341 . . . . 0.0 111.897 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.58 160.05 15.6 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.6 p -64.3 -24.07 67.52 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 157.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.62 -2.62 60.84 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.905 1.24 . . . . 0.0 114.704 167.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -90.04 -53.93 4.26 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.671 1.235 . . . . 0.0 110.455 168.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 p -60.45 -36.97 79.51 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.175 -0.953 . . . . 0.0 112.288 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.28 75.02 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 121.346 -0.846 . . . . 0.0 114.33 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.31 -48.09 14.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.555 1.177 . . . . 0.0 110.736 169.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.83 -48.41 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.894 0.878 . . . . 0.0 110.736 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -56.26 -43.92 79.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.999 0.92 . . . . 0.0 112.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -64.83 -38.22 90.26 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.845 -1.16 . . . . 0.0 113.166 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.16 -47.83 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.612 1.096 . . . . 0.0 111.481 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.85 -24.86 61.77 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -53.55 -35.03 60.31 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.87 1.268 . . . . 0.0 112.224 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.1 -16.13 29.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.855 1.262 . . . . 0.0 113.487 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.32 -3.0 17.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.5 1.52 . . . . 0.0 113.912 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.2 -27.53 2.14 Favored Pre-proline 0 N--CA 1.475 0.812 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.93 -24.05 46.04 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 121.931 1.725 . . . . 0.0 113.809 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -126.5 -16.07 5.44 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.115 1.366 . . . . 0.0 114.175 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.09 127.82 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.678 1.591 . . . . 0.0 109.626 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.38 -28.4 14.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.74 139.5 23.99 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.267 -0.896 . . . . 0.0 112.007 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.48 128.91 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.766 2.026 . . . . 0.0 107.913 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.98 123.49 9.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.026 0.931 . . . . 0.0 111.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -111.43 141.28 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.402 1.081 . . . . 0.0 110.145 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -125.79 94.15 4.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.911 1.284 . . . . 0.0 109.726 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.1 -44.3 96.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.526 0.73 . . . . 0.0 112.612 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.01 -50.21 74.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.33 -5.83 25.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.852 0.861 . . . . 0.0 112.881 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 56.12 24.73 8.24 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.198 2.599 . . . . 0.0 113.99 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.348 4.5 pp -121.12 159.59 25.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.38 124.68 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 127.47 2.308 . . . . 0.0 107.893 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -100.18 132.97 45.25 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.223 1.409 . . . . 0.0 110.493 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -130.13 139.58 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.708 1.203 . . . . 0.0 110.231 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -125.47 121.24 33.19 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.647 1.579 . . . . 0.0 109.689 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -164.95 162.06 20.38 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.8 p -92.31 -7.29 48.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.947 2.099 . . . . 0.0 113.86 164.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.78 153.48 95.06 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 119.509 1.05 . . . . 0.0 111.655 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 138.44 28.49 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.305 2.67 . . . . 0.0 112.001 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -56.22 -46.95 79.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.957 1.303 . . . . 0.0 114.349 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.31 -25.64 68.13 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.33 -32.45 72.58 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.263 -0.898 . . . . 0.0 111.889 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.67 -42.51 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.204 -0.935 . . . . 0.0 109.979 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.8 mt -55.22 -39.91 70.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.024 0.829 . . . . 0.0 112.115 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -76.91 -27.15 54.83 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -74.96 -35.06 62.12 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.421 -1.424 . . . . 0.0 111.123 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.66 -46.81 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.985 0.914 . . . . 0.0 110.397 167.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.49 -35.5 76.09 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.036 -1.04 . . . . 0.0 112.786 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -73.35 -25.8 60.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 m -64.26 -34.15 77.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.192 0.997 . . . . 0.0 109.692 167.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.28 -9.72 61.22 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 126.185 1.85 . . . . 0.0 114.717 162.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.82 149.11 45.57 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.68 1.24 . . . . 0.0 112.076 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -78.06 141.84 38.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.032 0.533 . . . . 0.0 111.79 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -110.03 121.75 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.971 1.309 . . . . 0.0 109.52 -170.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.55 -39.17 38.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.2 1.0 . . . . 0.0 112.17 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.7 p -162.33 161.26 27.44 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.665 1.121 . . . . 0.0 112.547 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.42 9.44 Favored Glycine 0 N--CA 1.466 0.648 0 C-N-CA 124.405 1.003 . . . . 0.0 111.23 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -151.14 158.76 44.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.95 152.63 19.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.653 1.581 . . . . 0.0 111.331 167.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.134 1.774 . . . . 0.0 112.319 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.747 -0.094 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -84.92 -151.24 0.13 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -172.92 148.09 1.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 126.806 2.042 . . . . 0.0 109.487 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -145.37 149.78 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.406 1.483 . . . . 0.0 109.456 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.42 HG12 HD23 ' B' ' 69' ' ' LEU . 12.1 tt -140.91 135.09 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.067 0.947 . . . . 0.0 109.151 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 0.6 OUTLIER -141.75 144.01 33.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 111.554 -164.292 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.19 111.84 20.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.518 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.98 74.55 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.58 1.152 . . . . 0.0 108.613 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -53.3 -21.1 5.02 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -166.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.34 -11.52 85.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.858 -1.151 . . . . 0.0 115.214 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 23.1 mtm -68.15 120.24 14.02 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.365 1.582 . . . . 0.0 111.271 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -141.45 -61.85 0.47 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.615 1.566 . . . . 0.0 109.468 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.65 -176.46 5.82 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.68 1.592 . . . . 0.0 112.848 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.5 m -87.97 -49.78 6.84 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.893 1.277 . . . . 0.0 113.607 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.78 65.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -164.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -28.86 61.22 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.949 1.3 . . . . 0.0 113.136 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.8 p -80.41 -36.33 33.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -158.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -21.83 66.08 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.145 -177.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -53.1 -25.46 13.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.082 1.353 . . . . 0.0 112.869 167.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.51 -66.65 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.469 0.707 . . . . 0.0 110.512 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -57.05 -44.0 82.53 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.261 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.0 m -52.36 -46.62 66.22 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.599 1.159 . . . . 0.0 111.879 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.94 -49.81 18.89 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.317 0.508 . . . . 0.0 111.696 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.3 -47.3 82.86 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.866 0.757 . . . . 0.0 111.807 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -70.41 -1.68 11.44 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.84 43.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.414 1.006 . . . . 0.0 113.206 166.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.11 130.9 35.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.884 1.274 . . . . 0.0 110.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.43 25.53 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.38 -9.12 0.58 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.402 2.43 . . . . 0.0 114.945 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.73 129.31 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 120.314 2.057 . . . . 0.0 111.118 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.6 m -101.96 -32.33 10.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.427 1.891 . . . . 0.0 112.465 -172.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -165.01 151.38 10.29 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.253 1.821 . . . . 0.0 111.264 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -144.38 101.03 3.63 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.015 1.326 . . . . 0.0 111.256 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -100.32 161.81 13.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.995 1.718 . . . . 0.0 111.672 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -150.17 152.13 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.437 1.895 . . . . 0.0 110.663 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.1 m -131.78 122.22 25.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.31 1.444 . . . . 0.0 110.604 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.7 -19.93 30.14 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -161.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.8 -34.87 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.5 p -94.88 -3.45 48.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.511 1.524 . . . . 0.0 113.736 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.353 10.5 p30 51.74 15.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.135 2.974 . . . . 0.0 116.733 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.38 133.05 45.68 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.489 1.116 . . . . 0.0 110.165 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.46 126.55 49.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.854 1.661 . . . . 0.0 108.622 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -126.54 100.45 6.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.597 1.559 . . . . 0.0 109.066 -164.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.58 141.7 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.518 1.927 . . . . 0.0 110.414 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -130.08 130.4 44.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 126.357 1.863 . . . . 0.0 106.636 -171.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -163.17 148.13 11.39 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.669 1.223 . . . . 0.0 111.469 -168.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.57 -69.63 0.25 Allowed 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 129.219 3.008 . . . . 0.0 114.285 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 48.0 t30 178.12 156.61 0.4 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.269 2.228 . . . . 0.0 108.952 -158.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . 0.283 30.1 mt-10 104.22 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 1 C-N-CA 132.898 4.479 . . . . 0.0 112.752 165.17 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.13 147.44 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.831 1.652 . . . . 0.0 112.714 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -104.66 157.2 17.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.332 1.453 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.98 69.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.188 0.595 . . . . 0.0 112.041 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.02 -43.83 94.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.729 0.812 . . . . 0.0 112.174 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -64.21 -42.42 96.62 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.501 -0.749 . . . . 0.0 111.406 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.44 -43.06 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.231 1.012 . . . . 0.0 110.971 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -59.01 -32.29 69.57 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.17 -0.956 . . . . 0.0 112.887 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.02 -35.25 37.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.732 1.151 . . . . 0.0 110.258 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.02 -50.69 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.799 1.24 . . . . 0.0 111.305 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -75.99 -28.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.588 0.755 . . . . 0.0 111.449 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.71 -32.81 68.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.582 166.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.12 -7.11 54.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.427 1.467 . . . . 0.0 114.649 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.98 -9.1 58.34 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.131 0.878 . . . . 0.0 112.288 161.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.79 24.46 17.66 Favored Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.422 1.487 . . . . 0.0 114.403 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -107.89 -164.63 0.98 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.956 1.303 . . . . 0.0 110.979 173.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.88 11.21 4.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.214 1.406 . . . . 0.0 114.647 -162.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 28.2 p -63.36 145.16 56.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -148.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -119.24 138.46 52.97 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 108.266 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.65 106.93 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.402 1.081 . . . . 0.0 108.738 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' B' ' 6' ' ' LEU . 0.3 OUTLIER -71.02 -45.23 64.27 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.628 1.571 . . . . 0.0 109.468 -170.067 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 mtm-85 -152.59 151.93 31.23 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.319 2.247 . . . . 0.0 108.409 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -87.59 32.98 0.7 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.469 1.508 . . . . 0.0 112.352 165.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 125.851 1.66 . . . . 0.0 113.867 -174.804 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.43 -26.76 0.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -77.02 168.83 19.42 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 119.679 1.127 . . . . 0.0 113.07 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 78.7 mt 72.88 146.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 130.408 3.483 . . . . 0.0 115.026 165.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -130.66 163.08 27.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.384 1.474 . . . . 0.0 112.746 164.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -117.2 134.56 54.64 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.343 1.457 . . . . 0.0 111.515 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -131.35 154.22 48.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.209 1.803 . . . . 0.0 110.959 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -140.38 129.32 23.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.957 1.303 . . . . 0.0 108.915 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -128.96 139.72 51.98 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.57 1.148 . . . . 0.0 110.801 -173.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.11 114.67 28.74 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.084 1.754 . . . . 0.0 109.335 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t -149.91 133.43 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.08 0.952 . . . . 0.0 111.063 -159.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 t -78.29 131.86 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.348 1.459 . . . . 0.0 110.3 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.2 ptp -151.5 145.94 25.54 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.282 1.033 . . . . 0.0 110.24 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -61.35 -50.59 72.32 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -158.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 16' ' ' SER . 2.6 t -166.88 -172.59 2.13 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 125.432 1.493 . . . . 0.0 112.693 -170.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 p -48.35 -28.34 3.12 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.979 3.312 . . . . 0.0 115.826 174.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.91 -46.37 17.36 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -57.99 -43.94 86.88 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.529 -0.748 . . . . 0.0 112.432 171.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.1 p -68.02 -37.11 81.0 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.96 1.254 . . . . 0.0 112.712 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.36 73.59 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 119.245 0.929 . . . . 0.0 113.57 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.9 22.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.8 1.64 . . . . 0.0 112.031 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.1 t -57.9 -40.57 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.136 -0.978 . . . . 0.0 110.062 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -55.3 -41.84 72.89 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.327 169.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -64.26 -40.45 96.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.658 1.117 . . . . 0.0 113.154 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.48 -40.15 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 120.015 1.279 . . . . 0.0 110.931 172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.87 -3.6 59.09 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.825 1.25 . . . . 0.0 113.771 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.7 m -80.99 -51.08 8.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.418 1.487 . . . . 0.0 109.667 166.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.13 -15.24 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.592 -1.318 . . . . 0.0 114.416 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.41 1.53 54.22 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.697 1.599 . . . . 0.0 115.074 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -47.62 -32.92 3.2 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -58.58 -14.1 19.93 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 121.773 1.669 . . . . 0.0 114.827 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -132.91 -24.03 1.95 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.568 1.547 . . . . 0.0 114.063 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.77 133.16 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 120.356 -1.465 . . . . 0.0 110.565 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -44.97 11.56 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.147 1.379 . . . . 0.0 111.846 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.75 149.45 3.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.21 1.804 . . . . 0.0 110.445 -170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -133.97 168.98 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.964 1.706 . . . . 0.0 111.933 161.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -158.27 129.95 6.71 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.264 1.026 . . . . 0.0 111.664 162.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.4 mt -99.16 121.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.185 0.994 . . . . 0.0 110.274 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 m -102.36 77.34 1.64 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.475 1.91 . . . . 0.0 109.29 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.41 -37.78 88.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.989 1.716 . . . . 0.0 114.037 -165.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.83 -31.66 61.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.858 0.754 . . . . 0.0 111.739 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -81.26 -3.33 52.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.058 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 80.39 10.2 1.17 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.853 2.461 . . . . 0.0 113.642 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -125.26 158.3 34.45 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -166.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.84 134.6 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 127.076 2.15 . . . . 0.0 109.172 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -101.79 138.32 38.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.326 1.45 . . . . 0.0 110.822 171.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.45 142.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.752 1.221 . . . . 0.0 111.583 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.49 126.27 27.38 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.579 1.952 . . . . 0.0 109.445 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 t -170.63 155.74 5.01 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 p -76.02 -5.4 46.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 128.913 2.885 . . . . 0.0 114.275 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.85 158.7 67.43 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.216 1.406 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.84 167.24 10.64 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.345 3.363 . . . . 0.0 113.735 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -77.66 -45.55 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.432 0.693 . . . . 0.0 111.37 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.88 -43.14 65.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.7 1.2 . . . . 0.0 111.951 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.65 -35.04 76.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.384 0.673 . . . . 0.0 112.797 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.8 -41.81 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.429 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.91 -41.14 64.14 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.09 0.859 . . . . 0.0 111.665 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -71.96 -37.2 69.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.887 1.675 . . . . 0.0 113.814 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' THR . 49.5 mmtt -66.69 -44.98 80.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.221 1.373 . . . . 0.0 111.554 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.47 -54.87 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.418 1.087 . . . . 0.0 110.226 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -47.83 -48.97 30.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.975 1.31 . . . . 0.0 112.829 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -61.46 -28.97 69.66 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' LYS . 27.0 p -69.2 -15.99 63.51 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.84 7.55 80.98 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 124.541 1.067 . . . . 0.0 114.967 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -91.51 137.77 32.1 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.488 1.515 . . . . 0.0 109.663 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.54 126.37 35.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.385 -0.822 . . . . 0.0 111.379 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.5 t -82.89 133.1 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.085 1.354 . . . . 0.0 110.152 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -93.74 -51.47 4.9 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.071 1.348 . . . . 0.0 109.798 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -168.21 169.78 10.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.918 1.687 . . . . 0.0 111.249 167.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.71 156.85 26.91 Favored Glycine 0 N--CA 1.471 0.995 0 O-C-N 121.195 -0.941 . . . . 0.0 114.268 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -154.61 160.04 41.21 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -100.78 147.07 26.48 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.705 2.002 . . . . 0.0 111.17 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.255 1.376 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.174 -174.502 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.715 0.293 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -145.87 112.94 6.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 129.222 3.009 . . . . 0.0 108.281 -167.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -75.13 144.03 43.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.977 1.711 . . . . 0.0 112.583 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.3 156.16 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 126.784 2.034 . . . . 0.0 110.162 165.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 tt -131.87 142.82 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 123.418 0.687 . . . . 0.0 109.342 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.92 146.63 39.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.553 1.141 . . . . 0.0 110.528 -172.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.68 118.38 32.25 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.541 0.736 . . . . 0.0 109.916 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.88 74.38 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.557 1.143 . . . . 0.0 108.785 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -28.47 68.65 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.413 -0.805 . . . . 0.0 112.555 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.08 16.64 56.67 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.826 1.679 . . . . 0.0 114.653 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.4 ptm -62.82 166.06 6.0 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.113 1.457 . . . . 0.0 113.813 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -170.65 144.96 2.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.582 1.953 . . . . 0.0 110.176 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t 53.35 -150.97 0.35 Allowed 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 129.113 2.965 . . . . 0.0 113.942 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 80.9 p -118.05 -89.05 0.6 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.729 1.612 . . . . 0.0 111.804 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.74 61.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.443 1.497 . . . . 0.0 113.265 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.04 -41.3 62.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.638 1.575 . . . . 0.0 112.141 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.0 p -63.28 -31.89 73.16 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.548 1.139 . . . . 0.0 112.986 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.31 -8.27 38.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.642 1.11 . . . . 0.0 112.664 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -55.24 -28.2 51.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.737 1.153 . . . . 0.0 110.917 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.84 -51.38 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.734 0.697 . . . . 0.0 110.799 168.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.13 -38.6 91.14 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.98 -1.075 . . . . 0.0 111.746 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -52.23 -41.3 62.64 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.203 0.91 . . . . 0.0 113.338 169.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.98 -51.21 41.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.186 0.903 . . . . 0.0 111.54 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.07 -35.32 80.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.605 0.638 . . . . 0.0 112.287 -175.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -70.5 -2.62 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.343 1.457 . . . . 0.0 113.929 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.1 -9.48 21.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.94 1.296 . . . . 0.0 113.859 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.52 -168.5 2.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.502 1.521 . . . . 0.0 110.586 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -127.04 135.95 51.52 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.589 1.156 . . . . 0.0 110.261 167.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.36 -32.9 3.97 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-O 118.023 -1.432 . . . . 0.0 115.471 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.65 123.76 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.312 2.056 . . . . 0.0 110.419 -174.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -86.65 -38.93 16.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.485 1.514 . . . . 0.0 112.209 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -168.44 145.9 4.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.445 1.898 . . . . 0.0 111.171 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t -127.52 135.25 50.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 111.602 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -135.67 118.35 16.03 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.87 1.268 . . . . 0.0 112.711 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.87 125.52 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 127.657 2.383 . . . . 0.0 110.116 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -107.41 107.67 18.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.315 1.046 . . . . 0.0 111.282 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.43 -18.28 62.33 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.76 -24.27 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.259 0.936 . . . . 0.0 111.666 173.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -125.52 -2.45 7.39 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.322 12.1 p30 50.64 18.94 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.07 2.148 . . . . 0.0 115.886 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -78.42 132.85 37.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.728 1.211 . . . . 0.0 110.48 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.99 121.1 42.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.39 1.476 . . . . 0.0 108.782 171.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -114.47 101.37 9.07 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 125.559 1.543 . . . . 0.0 107.793 -168.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.69 142.07 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.714 1.606 . . . . 0.0 110.555 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.2 m -129.53 130.55 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 127.079 2.152 . . . . 0.0 106.157 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -156.62 135.12 11.5 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 122.818 1.294 . . . . 0.0 111.627 -166.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.6 149.44 47.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.134 0.968 . . . . 0.0 110.931 158.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -70.51 10.99 0.4 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -161.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.85 -15.51 59.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.858 1.263 . . . . 0.0 113.348 167.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -126.92 163.8 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.49 2.316 . . . . 0.0 109.311 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -125.62 151.36 46.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.005 1.722 . . . . 0.0 110.828 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.42 68.7 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.27 -28.38 67.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.654 0.782 . . . . 0.0 111.909 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -73.54 -37.36 65.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.802 -1.187 . . . . 0.0 111.115 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.11 -42.32 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.784 -1.197 . . . . 0.0 110.136 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.8 -5.33 8.58 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.529 1.532 . . . . 0.0 114.234 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -102.9 -52.3 3.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.593 1.557 . . . . 0.0 108.044 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.7 mm -46.74 -52.53 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.77 2.428 . . . . 0.0 113.454 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.14 -31.48 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.387 0.675 . . . . 0.0 111.071 -177.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -79.63 -28.07 40.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.67 -15.18 52.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.202 0.91 . . . . 0.0 113.375 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.15 -29.82 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.992 -1.067 . . . . 0.0 111.613 164.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.99 24.98 5.29 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.139 1.828 . . . . 0.0 115.014 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.93 -155.82 0.57 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.49 1.145 . . . . 0.0 110.243 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -156.74 139.97 15.58 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.261 1.824 . . . . 0.0 107.72 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -162.31 156.88 22.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.07 145.26 51.32 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.969 2.108 . . . . 0.0 107.289 164.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.93 116.17 5.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 167.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.04 -47.04 9.26 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.885 1.274 . . . . 0.0 108.821 -164.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -157.04 150.51 24.23 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.79 1.636 . . . . 0.0 109.424 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.82 23.03 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.467 1.507 . . . . 0.0 114.89 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 128.109 2.564 . . . . 0.0 112.939 -178.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.7 0.762 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.84 137.84 42.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 112.821 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.76 143.87 47.58 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.024 1.33 . . . . 0.0 111.592 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.3 mt -89.33 143.19 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -170.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.93 168.41 11.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.394 2.278 . . . . 0.0 111.053 171.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -132.61 133.61 43.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.391 1.476 . . . . 0.0 111.153 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -142.15 148.2 37.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.056 1.342 . . . . 0.0 111.876 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -141.58 147.03 37.02 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 111.362 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -143.43 144.45 32.03 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.436 1.494 . . . . 0.0 111.213 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -91.75 119.96 32.05 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.824 1.249 . . . . 0.0 108.831 160.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.42 138.47 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.038 1.335 . . . . 0.0 109.494 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -71.76 110.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.7 mtm -130.01 96.59 4.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.473 1.109 . . . . 0.0 109.462 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -89.31 -51.82 5.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.074 2.149 . . . . 0.0 112.391 -167.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.7 p -89.84 -161.56 0.79 Allowed 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 122.724 1.249 . . . . 0.0 113.84 -166.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 p -93.03 -10.53 35.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.21 2.204 . . . . 0.0 113.662 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.74 -15.61 6.76 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 125.133 1.349 . . . . 0.0 116.019 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 t -65.86 -41.66 91.35 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.662 1.731 . . . . 0.0 112.65 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.54 -21.94 41.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.7 1.6 . . . . 0.0 114.191 171.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.94 -43.42 5.39 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.983 1.277 . . . . 0.0 111.357 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.9 93.88 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.551 1.176 . . . . 0.0 111.966 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.62 -44.77 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 122.843 0.457 . . . . 0.0 111.068 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -59.09 -43.32 91.84 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.651 0.66 . . . . 0.0 111.479 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -61.34 -21.85 64.39 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.081 1.353 . . . . 0.0 114.09 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.46 -45.72 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.757 1.162 . . . . 0.0 111.598 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.08 -33.7 44.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.221 1.008 . . . . 0.0 113.233 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 p -65.25 -15.98 63.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.027 1.331 . . . . 0.0 114.349 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -75.78 -5.34 45.32 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.589 1.155 . . . . 0.0 113.124 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.3 mt -125.46 22.26 7.72 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.19 1.796 . . . . 0.0 112.818 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -56.3 -24.94 1.56 Allowed Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -60.91 -24.49 79.46 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 CA-C-N 121.852 1.697 . . . . 0.0 113.359 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -122.81 -23.46 5.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.997 1.319 . . . . 0.0 114.352 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.53 132.4 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.345 1.458 . . . . 0.0 109.83 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -99.12 -39.51 8.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.455 1.502 . . . . 0.0 113.27 -167.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -162.25 145.37 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.622 1.169 . . . . 0.0 111.998 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -134.53 143.26 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.442 1.497 . . . . 0.0 109.579 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.5 125.37 11.95 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.889 1.222 . . . . 0.0 112.262 162.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.9 117.63 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.156 0.982 . . . . 0.0 110.773 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -111.87 92.94 4.22 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.718 -1.239 . . . . 0.0 111.036 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.84 -43.32 94.66 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.984 1.314 . . . . 0.0 113.684 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.98 -28.11 64.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.246 1.018 . . . . 0.0 112.242 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -89.25 -4.3 58.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.442 1.097 . . . . 0.0 112.86 170.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 49.93 27.22 2.29 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.24 2.216 . . . . 0.0 114.623 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -100.15 150.41 22.53 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.696 1.198 . . . . 0.0 113.141 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -127.22 126.99 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 113.343 -1.753 . . . . 0.0 108.503 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -118.04 130.79 56.37 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 110.894 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -139.3 139.97 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.914 0.885 . . . . 0.0 111.778 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.57 138.28 54.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.264 1.826 . . . . 0.0 109.899 160.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 t -168.89 156.42 7.48 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.224 1.41 . . . . 0.0 111.378 -174.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.0 p -81.97 -8.06 59.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.433 1.493 . . . . 0.0 113.056 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.46 149.32 86.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.104 1.362 . . . . 0.0 112.532 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.41 150.38 32.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.823 3.015 . . . . 0.0 111.865 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.63 -38.26 89.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 0.0 112.838 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.19 -33.2 67.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.991 1.317 . . . . 0.0 112.857 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.7 -31.67 63.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.656 -0.652 . . . . 0.0 112.008 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.3 -41.48 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.004 0.921 . . . . 0.0 110.852 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.19 -34.92 75.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.432 0.693 . . . . 0.0 112.143 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -74.53 -32.51 62.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.81 1.244 . . . . 0.0 113.977 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -67.52 -35.68 79.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.598 1.09 . . . . 0.0 111.683 167.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.54 -39.89 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.131 0.972 . . . . 0.0 111.452 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.23 -42.63 99.27 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.915 0.78 . . . . 0.0 111.138 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.0 -40.2 87.29 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -76.66 -11.52 59.87 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -25.39 2.63 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.678 1.608 . . . . 0.0 115.669 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.47 132.06 51.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.53 1.165 . . . . 0.0 111.083 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.43 151.21 41.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.145 0.578 . . . . 0.0 112.358 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.83 149.59 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.483 1.113 . . . . 0.0 111.385 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -102.43 -31.74 10.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.398 1.079 . . . . 0.0 112.821 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 p -171.95 169.67 5.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 110.597 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.12 164.62 22.0 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 121.509 -0.744 . . . . 0.0 114.254 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -168.53 171.44 8.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.339 1.456 . . . . 0.0 114.062 -174.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.09 146.17 25.82 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.315 2.246 . . . . 0.0 111.237 172.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.941 1.697 . . . . 0.0 113.165 -173.544 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -178.93 150.35 0.48 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.803 2.841 . . . . 0.0 107.93 -170.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -140.39 148.12 40.78 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 127.673 2.389 . . . . 0.0 111.577 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 m -152.75 161.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 126.043 1.737 . . . . 0.0 111.229 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.9 135.74 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.225 1.01 . . . . 0.0 109.247 164.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -112.15 154.29 25.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.33 1.852 . . . . 0.0 109.675 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.63 138.74 31.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.99 0.516 . . . . 0.0 109.618 159.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.37 87.87 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.494 1.918 . . . . 0.0 108.06 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.47 -13.03 62.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 7.41 67.34 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.479 -167.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.2 ptp -85.83 154.95 21.2 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.429 1.614 . . . . 0.0 112.323 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.4 t 167.02 -37.87 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 129.758 3.223 . . . . 0.0 110.963 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.77 165.13 25.44 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.882 2.073 . . . . 0.0 113.961 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -92.76 3.66 55.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -162.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.21 -24.14 0.74 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -63.71 -22.39 66.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 120.676 1.58 . . . . 0.0 112.672 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -58.45 -47.93 82.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 125.953 1.701 . . . . 0.0 112.611 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -29.63 69.74 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.088 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -55.54 -33.95 64.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.433 1.093 . . . . 0.0 111.005 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -54.31 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.833 0.742 . . . . 0.0 109.188 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -63.64 -54.0 42.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.51 1.124 . . . . 0.0 112.622 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 m -48.22 -39.74 22.18 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.368 1.467 . . . . 0.0 112.596 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.13 -53.39 4.89 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.909 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.311 0.7 OUTLIER -74.8 -28.75 60.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.128 1.331 . . . . 0.0 112.998 -173.344 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -57.84 -25.29 60.47 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.72 1.146 . . . . 0.0 112.698 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -0.74 53.86 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.4 mt -79.95 133.02 36.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.593 1.088 . . . . 0.0 110.471 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -61.75 117.09 5.38 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.3 1.04 . . . . 0.0 110.869 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.21 -25.1 16.79 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.784 1.659 . . . . 0.0 113.953 -170.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.19 137.06 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 120.529 2.165 . . . . 0.0 111.596 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.0 m -106.53 -41.13 5.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.575 1.55 . . . . 0.0 111.528 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -165.08 161.16 19.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.93 1.292 . . . . 0.0 113.114 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.1 130.6 27.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.152 2.181 . . . . 0.0 110.916 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -131.14 167.0 19.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.89 1.676 . . . . 0.0 110.53 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.6 pt -148.7 167.95 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.548 1.539 . . . . 0.0 112.775 -170.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.2 m -138.59 109.94 6.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 111.519 165.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.55 -30.51 67.18 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.4 1.88 . . . . 0.0 116.045 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 83.5 t -81.54 -34.38 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.374 0.533 . . . . 0.0 111.264 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -102.02 -7.72 22.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.141 1.376 . . . . 0.0 113.795 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 65.12 25.13 12.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.468 1.907 . . . . 0.0 112.802 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -87.29 143.9 27.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.991 1.717 . . . . 0.0 111.563 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 92.3 m -132.21 121.33 23.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.509 . . . . 0.0 109.857 169.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -113.12 116.28 29.61 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.9 139.18 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.79 2.036 . . . . 0.0 110.701 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -123.31 122.36 38.14 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 127.382 2.273 . . . . 0.0 106.693 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -152.75 -144.08 0.14 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -165.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -174.57 153.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.918 3.287 . . . . 0.0 109.96 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -75.68 8.79 2.69 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -158.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.03 -19.03 64.9 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.736 1.214 . . . . 0.0 112.679 164.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.15 157.83 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 109.503 166.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 p -119.69 158.85 25.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.877 1.671 . . . . 0.0 111.983 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.96 58.85 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.95 -37.91 69.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.921 1.288 . . . . 0.0 112.657 171.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 75.4 m -66.52 -39.54 88.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.579 -0.7 . . . . 0.0 110.535 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.91 -41.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.167 -0.958 . . . . 0.0 110.17 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -67.44 -4.59 11.68 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -95.83 -54.49 3.32 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.296 -1.503 . . . . 0.0 108.067 169.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.81 -49.22 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.518 1.527 . . . . 0.0 112.634 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.99 -23.0 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.325 -0.859 . . . . 0.0 111.509 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.68 -27.82 58.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.766 -0.635 . . . . 0.0 112.643 166.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -79.12 -19.74 50.35 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.812 1.245 . . . . 0.0 113.383 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.2 m -72.14 -10.95 60.47 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.355 1.062 . . . . 0.0 113.0 165.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.49 19.57 27.28 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.419 1.009 . . . . 0.0 115.01 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.87 -170.61 1.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.94 1.37 . . . . 0.0 110.644 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -134.62 132.77 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 127.03 2.132 . . . . 0.0 107.119 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -164.81 163.41 21.25 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -158.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -172.54 156.14 3.57 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.728 2.411 . . . . 0.0 110.498 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 tp -49.05 126.95 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.339 1.056 . . . . 0.0 111.385 160.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -101.94 -48.82 4.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.74 1.216 . . . . 0.0 108.913 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -170.83 177.22 3.89 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.945 2.098 . . . . 0.0 110.723 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.33 70.06 5.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.533 1.933 . . . . 0.0 111.801 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.462 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.43 -35.95 15.72 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -173.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.94 140.45 36.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.41 129.8 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 125.011 1.325 . . . . 0.0 110.516 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.78 152.9 18.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.809 1.644 . . . . 0.0 110.989 164.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -113.36 134.14 54.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.949 1.3 . . . . 0.0 110.025 168.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -125.07 144.43 50.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.126 1.37 . . . . 0.0 110.303 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -134.41 117.5 16.38 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.736 0.814 . . . . 0.0 110.112 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.04 134.65 55.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.963 1.305 . . . . 0.0 111.106 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -99.08 122.29 42.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.433 1.893 . . . . 0.0 107.281 165.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.81 145.22 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.331 1.052 . . . . 0.0 110.41 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 116.47 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.619 0.768 . . . . 0.0 110.16 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.6 mtm -142.03 141.22 32.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.157 0.983 . . . . 0.0 112.984 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 m -139.72 -22.06 0.89 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.111 1.764 . . . . 0.0 113.427 -167.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.2 143.85 27.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.975 1.31 . . . . 0.0 111.445 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -63.49 -24.63 67.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.494 1.518 . . . . 0.0 114.369 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.44 -42.9 9.81 Favored Glycine 0 N--CA 1.47 0.933 0 CA-C-N 119.077 0.853 . . . . 0.0 111.722 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.6 t -66.11 -31.62 72.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.033 1.333 . . . . 0.0 112.932 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 p -82.97 -43.02 16.9 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.688 -1.257 . . . . 0.0 111.505 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -19.0 43.11 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 125.084 1.326 . . . . 0.0 113.708 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.64 -44.19 37.21 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.181 0.993 . . . . 0.0 112.678 161.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.03 -47.68 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.721 1.146 . . . . 0.0 110.701 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -54.97 -55.02 35.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.899 0.88 . . . . 0.0 110.789 170.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.92 -20.56 62.46 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.41 -54.67 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 O-C-N 120.416 -1.428 . . . . 0.0 110.375 163.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.29 -16.34 59.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.0 m -56.03 -27.22 52.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.487 1.115 . . . . 0.0 112.435 164.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' B' ' 60' ' ' GLU . 60.7 mttp -62.32 -10.16 10.29 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.281 -1.512 . . . . 0.0 114.001 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -115.98 22.01 13.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.437 1.895 . . . . 0.0 113.193 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -47.24 -35.37 5.96 Favored Pre-proline 0 N--CA 1.481 1.084 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.79 -13.18 38.9 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.748 1.632 . . . . 0.0 114.098 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -130.74 -30.95 1.79 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.183 1.793 . . . . 0.0 113.808 -171.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -109.52 119.01 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.899 2.08 . . . . 0.0 107.295 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 p -89.7 -33.93 16.43 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -155.29 141.98 18.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.444 1.098 . . . . 0.0 112.802 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 mp -123.35 136.87 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.901 1.68 . . . . 0.0 109.103 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -145.85 113.99 6.59 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.338 1.055 . . . . 0.0 112.08 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.3 mt -98.32 143.34 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.274 1.43 . . . . 0.0 111.438 -173.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -132.82 88.94 2.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.154 1.782 . . . . 0.0 109.742 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.73 -38.2 86.2 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.353 1.061 . . . . 0.0 113.854 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -63.71 -37.61 87.99 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.234 0.925 . . . . 0.0 110.568 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -92.75 10.72 29.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.853 1.261 . . . . 0.0 113.027 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 57.85 22.21 8.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.471 2.308 . . . . 0.0 115.338 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.13 151.94 22.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.332 1.453 . . . . 0.0 113.818 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -137.36 129.85 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.793 2.037 . . . . 0.0 109.01 170.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -102.78 135.58 44.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.396 1.478 . . . . 0.0 110.507 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.79 141.39 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.926 1.29 . . . . 0.0 110.685 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -131.13 129.47 41.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.036 1.734 . . . . 0.0 111.008 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -169.32 155.97 6.64 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.876 0.87 . . . . 0.0 113.214 -171.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -83.15 -7.54 59.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.452 1.501 . . . . 0.0 113.75 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.33 164.28 62.17 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.779 1.632 . . . . 0.0 114.104 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.17 149.39 89.46 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.048 3.165 . . . . 0.0 112.929 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -67.35 -47.16 71.24 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.85 0.86 . . . . 0.0 111.731 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -63.22 -23.14 67.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.642 1.177 . . . . 0.0 112.936 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -67.26 -41.88 84.81 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.762 -0.586 . . . . 0.0 110.959 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mm -69.06 -34.81 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.775 0.83 . . . . 0.0 111.989 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.76 -42.31 68.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.923 0.889 . . . . 0.0 112.422 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.42 -30.33 57.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.914 1.286 . . . . 0.0 113.809 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.57 -37.97 80.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.641 1.109 . . . . 0.0 110.969 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.56 -50.55 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.594 -0.691 . . . . 0.0 110.27 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -53.34 -40.28 64.75 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.056 0.844 . . . . 0.0 112.392 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -54.61 -30.26 54.17 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.5 p -77.83 19.09 0.42 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.792 1.237 . . . . 0.0 114.16 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.15 85.2 Favored Glycine 0 N--CA 1.469 0.838 0 C-N-CA 125.385 1.469 . . . . 0.0 115.061 163.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.6 150.97 48.58 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -165.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -86.21 139.85 30.68 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -88.85 126.35 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.529 1.532 . . . . 0.0 108.656 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -78.48 -42.03 30.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.432 1.493 . . . . 0.0 111.436 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 149.08 3.63 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.196 1.399 . . . . 0.0 112.758 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.13 141.06 12.33 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 125.289 1.423 . . . . 0.0 113.565 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -124.83 151.49 45.16 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 113.184 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.37 128.4 52.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.236 2.214 . . . . 0.0 108.764 166.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 123.975 0.91 . . . . 0.0 112.254 -169.425 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -168.09 148.21 4.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 127.997 2.519 . . . . 0.0 107.204 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.99 151.41 50.8 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.838 2.055 . . . . 0.0 111.704 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 p -162.29 135.42 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.345 1.058 . . . . 0.0 111.217 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -118.39 137.42 52.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.539 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 3.9 pp -139.13 141.51 38.06 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.972 0.909 . . . . 0.0 111.25 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.04 111.14 22.47 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.016 0.826 . . . . 0.0 110.202 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.77 113.06 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.014 0.926 . . . . 0.0 110.886 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -78.72 -3.76 45.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.826 1.251 . . . . 0.0 113.997 -172.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.14 3.48 28.43 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -164.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -107.24 151.96 24.75 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.826 1.313 . . . . 0.0 113.884 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 -49.08 1.75 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.202 1.001 . . . . 0.0 112.352 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 p -145.55 -168.79 3.06 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.203 1.401 . . . . 0.0 113.221 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -72.93 4.66 3.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.604 1.562 . . . . 0.0 114.29 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.23 -48.55 6.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.504 1.122 . . . . 0.0 109.89 163.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -55.95 -39.88 72.37 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.06 1.344 . . . . 0.0 112.329 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 p -66.75 -54.47 22.51 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 111.682 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -70.33 -17.32 63.06 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.128 1.331 . . . . 0.0 113.248 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -70.0 -19.17 63.34 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.619 -0.676 . . . . 0.0 111.276 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.7 -64.56 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.486 1.114 . . . . 0.0 110.303 169.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -56.0 -54.95 38.65 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.135 1.374 . . . . 0.0 111.918 -169.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.9 m -53.78 -34.75 60.04 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.663 1.12 . . . . 0.0 113.017 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -78.18 -43.87 27.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.826 0.739 . . . . 0.0 112.081 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.51 -43.42 49.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.737 0.815 . . . . 0.0 112.296 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -54.87 -28.51 50.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.361 1.065 . . . . 0.0 113.06 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 0.71 15.57 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.297 1.439 . . . . 0.0 114.866 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -76.66 123.94 26.9 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 119.645 1.111 . . . . 0.0 110.953 173.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -65.94 105.67 1.38 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.651 0.78 . . . . 0.0 110.104 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.89 -24.5 3.82 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.643 2.068 . . . . 0.0 113.728 -169.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.46 140.56 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 118.904 1.352 . . . . 0.0 110.67 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 34.9 p -120.36 -32.34 4.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.266 1.827 . . . . 0.0 113.535 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -143.69 153.98 43.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.934 1.694 . . . . 0.0 110.33 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 35.7 t -147.87 136.31 21.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.172 0.989 . . . . 0.0 111.258 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.37 159.61 44.18 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.259 1.824 . . . . 0.0 111.72 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -150.17 136.08 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.261 2.225 . . . . 0.0 109.639 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -119.55 137.33 53.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.091 0.956 . . . . 0.0 110.952 166.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.14 -29.59 16.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.391 1.077 . . . . 0.0 113.706 -155.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -76.63 -20.55 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 111.773 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -127.17 10.31 6.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.295 2.238 . . . . 0.0 112.637 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.5 8.76 5.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.793 1.637 . . . . 0.0 114.353 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -89.95 122.56 33.09 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.308 1.043 . . . . 0.0 112.498 -166.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -113.45 126.74 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.152 2.181 . . . . 0.0 110.002 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -114.35 103.02 10.65 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.239 1.815 . . . . 0.0 108.597 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.51 134.09 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.468 1.507 . . . . 0.0 110.424 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -134.03 121.72 21.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.991 1.316 . . . . 0.0 108.825 -168.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -147.4 -151.46 0.39 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.792 1.237 . . . . 0.0 111.21 -161.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.75 163.69 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 127.787 2.435 . . . . 0.0 110.706 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.4 -0.46 3.68 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -154.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -63.39 -27.44 69.31 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 111.739 161.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 78.1 t -107.14 152.76 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.207 1.803 . . . . 0.0 108.365 169.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.9 t -134.5 144.07 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.813 1.645 . . . . 0.0 110.649 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.47 49.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.196 1.398 . . . . 0.0 113.445 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.29 -38.49 68.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.194 0.998 . . . . 0.0 112.186 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -69.76 -39.92 76.42 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 90.5 mt -54.8 -47.35 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 121.616 -0.677 . . . . 0.0 110.104 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -70.06 4.56 2.05 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.07 -38.29 4.22 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.101 -1.624 . . . . 0.0 110.265 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -72.32 -39.65 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 111.736 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.93 -26.85 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.385 0.993 . . . . 0.0 111.363 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 75.2 mt-10 -80.9 -33.26 34.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.239 0.615 . . . . 0.0 111.113 173.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -67.06 -23.97 65.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.131 1.373 . . . . 0.0 112.685 171.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.46 -14.99 56.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 113.185 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.76 22.72 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.967 1.27 . . . . 0.0 116.202 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -114.96 -167.09 1.18 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.171 1.388 . . . . 0.0 110.11 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -169.24 140.94 2.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.842 1.257 . . . . 0.0 110.065 -164.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 23.2 p -161.05 172.75 16.3 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.705 1.202 . . . . 0.0 112.191 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.45 -0.95 21.91 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mm 47.36 78.71 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 128.392 2.677 . . . . 0.0 110.095 -161.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.539 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.284 0.5 OUTLIER -54.04 -44.78 71.31 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -166.044 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -170.26 140.3 1.87 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.195 1.798 . . . . 0.0 112.086 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.85 36.31 0.39 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.912 2.885 . . . . 0.0 114.136 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.256 1.424 0 C-N-CA 127.358 2.263 . . . . 0.0 116.932 -158.514 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tmm? . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.62 166.72 15.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.439 1.496 . . . . 0.0 112.137 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -66.18 137.1 56.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.62 0.768 . . . . 0.0 111.145 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.9 mt -72.64 136.11 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.448 0.699 . . . . 0.0 109.791 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -111.97 146.2 38.27 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.643 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -105.69 125.65 51.24 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.418 0.687 . . . . 0.0 111.61 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -128.02 157.62 40.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.532 1.533 . . . . 0.0 111.111 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -152.83 131.76 12.52 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.48 -0.763 . . . . 0.0 112.169 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.05 151.11 50.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.99 1.716 . . . . 0.0 110.67 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -111.06 127.78 55.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.208 1.403 . . . . 0.0 109.839 170.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.26 138.41 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.367 1.067 . . . . 0.0 109.569 -167.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.24 114.37 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 0.0 109.898 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.67 118.3 13.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.89 0.876 . . . . 0.0 112.261 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 p -70.12 -38.3 75.56 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.891 1.677 . . . . 0.0 114.539 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.2 p -169.04 177.16 5.01 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 122.097 0.951 . . . . 0.0 113.352 -150.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -68.31 -6.67 25.36 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.771 -1.206 . . . . 0.0 113.973 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.25 94.95 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.282 0.947 . . . . 0.0 111.154 167.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -59.44 -48.16 82.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.809 0.843 . . . . 0.0 111.2 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -57.5 -25.94 60.55 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.3 -63.72 1.92 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.35 89.41 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.97 -46.2 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.552 0.615 . . . . 0.0 110.773 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.81 -42.55 89.43 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.997 0.817 . . . . 0.0 110.677 171.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -71.07 3.74 3.21 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.643 1.577 . . . . 0.0 114.997 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.4 -51.77 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.721 -1.237 . . . . 0.0 110.798 156.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.12 -15.44 61.48 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -57.09 -23.72 48.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.181 1.793 . . . . 0.0 113.877 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.86 -11.87 61.0 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.841 1.257 . . . . 0.0 113.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -123.7 17.56 9.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.056 1.742 . . . . 0.0 113.441 -169.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.25 -27.65 3.0 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -58.98 -24.11 71.6 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 121.635 1.62 . . . . 0.0 113.752 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -115.95 -34.32 4.8 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.828 1.651 . . . . 0.0 113.644 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t -88.27 131.68 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.246 1.418 . . . . 0.0 110.025 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -99.85 -36.19 9.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.117 0.967 . . . . 0.0 113.277 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.21 143.91 19.44 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.053 0.941 . . . . 0.0 112.341 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.09 138.89 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.531 1.533 . . . . 0.0 108.266 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.39 123.24 29.43 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.09 0.859 . . . . 0.0 112.134 165.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -96.98 131.03 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.427 1.491 . . . . 0.0 108.494 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 m -114.19 85.23 2.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.163 1.385 . . . . 0.0 108.885 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.91 -51.66 66.84 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.973 1.309 . . . . 0.0 113.193 -167.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -67.18 -34.18 76.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.281 1.032 . . . . 0.0 111.197 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -81.88 -1.58 48.2 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.461 1.504 . . . . 0.0 112.903 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 56.85 18.7 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.474 2.71 . . . . 0.0 115.336 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.23 153.84 18.95 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.277 1.431 . . . . 0.0 113.204 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -133.92 126.22 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.331 1.853 . . . . 0.0 108.712 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.59 132.1 54.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.397 1.879 . . . . 0.0 109.323 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.02 141.66 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.402 1.081 . . . . 0.0 110.882 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -128.03 115.29 18.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.238 1.815 . . . . 0.0 110.333 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 163.4 31.84 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.819 0.848 . . . . 0.0 112.618 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -96.84 -15.43 21.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.871 2.068 . . . . 0.0 114.05 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.74 164.32 24.47 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -64.88 147.48 89.38 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.522 2.814 . . . . 0.0 116.223 -168.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -54.0 -40.21 66.75 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.122 1.769 . . . . 0.0 111.769 164.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.95 -25.04 57.04 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.667 1.587 . . . . 0.0 114.232 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -91.57 -40.0 11.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.699 0.681 . . . . 0.0 111.708 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -59.97 -42.68 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.498 -0.751 . . . . 0.0 111.66 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.52 -31.89 73.19 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.825 0.739 . . . . 0.0 112.287 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.9 -21.39 54.98 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.479 1.112 . . . . 0.0 113.918 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -67.23 -54.33 21.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.881 1.219 . . . . 0.0 109.968 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.54 -37.05 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 122.992 0.517 . . . . 0.0 111.648 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -57.52 -35.14 69.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.373 -1.454 . . . . 0.0 112.289 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -88.57 1.65 54.53 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.167 1.387 . . . . 0.0 114.368 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -84.97 -27.77 26.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 112.3 167.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -25.29 18.99 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.12 132.15 49.62 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.732 1.266 . . . . 0.0 109.818 168.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.67 132.12 48.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.699 0.681 . . . . 0.0 112.456 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.37 111.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -77.85 -33.8 52.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.198 0.599 . . . . 0.0 112.063 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -158.98 159.27 34.64 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.415 -0.803 . . . . 0.0 111.111 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.16 132.94 3.71 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 123.928 0.775 . . . . 0.0 112.5 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -146.83 153.86 40.66 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.667 1.223 . . . . 0.0 113.981 -173.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -105.35 139.36 40.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.086 1.754 . . . . 0.0 108.716 162.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.784 1.234 . . . . 0.0 111.553 -165.716 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.72 0.772 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -140.65 114.06 8.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 128.616 2.766 . . . . 0.0 108.878 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.65 144.23 51.16 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 124.17 0.988 . . . . 0.0 110.209 154.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.01 143.28 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.044 1.738 . . . . 0.0 109.51 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.85 127.38 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 126.042 1.737 . . . . 0.0 107.106 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -124.74 145.6 49.63 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.049 0.84 . . . . 0.0 110.254 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.97 44.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 119.057 -0.496 . . . . 0.0 110.148 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -139.01 102.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.888 1.675 . . . . 0.0 107.963 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -83.33 -3.96 57.99 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -158.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.29 11.78 16.76 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -171.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -41.03 -57.11 2.11 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -164.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m 71.52 -68.21 0.23 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.832 2.053 . . . . 0.0 112.547 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -94.99 -172.41 2.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 126.447 1.899 . . . . 0.0 115.57 -156.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.0 m -126.82 7.15 6.72 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.901 2.48 . . . . 0.0 112.978 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.01 -44.64 0.95 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.276 1.83 . . . . 0.0 111.171 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.79 -19.91 62.64 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -59.96 -44.97 94.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 124.998 1.319 . . . . 0.0 111.348 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -13.6 62.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.419 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -59.34 -28.3 66.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.089 1.313 . . . . 0.0 111.061 167.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.71 -45.2 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.344 0.974 . . . . 0.0 109.932 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.62 -45.15 91.59 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.383 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -50.68 -40.37 53.57 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.151 1.341 . . . . 0.0 113.368 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -79.84 -47.87 14.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.934 0.788 . . . . 0.0 112.522 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.99 -41.18 99.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.601 1.091 . . . . 0.0 112.308 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -65.41 -9.42 25.02 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.33 1.09 54.27 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.21 1.404 . . . . 0.0 113.606 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.8 mt -95.41 124.7 39.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.659 1.184 . . . . 0.0 111.536 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -63.44 112.79 2.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.156 0.982 . . . . 0.0 110.616 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.18 -31.55 4.02 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.118 1.818 . . . . 0.0 114.624 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.38 126.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.899 1.35 . . . . 0.0 110.347 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -101.83 -24.6 14.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.185 0.994 . . . . 0.0 113.068 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -160.81 144.2 13.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.48 1.512 . . . . 0.0 110.554 167.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -143.28 142.97 31.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.246 1.019 . . . . 0.0 111.635 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -162.08 -173.23 3.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.608 1.563 . . . . 0.0 110.447 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.33 167.71 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.953 2.101 . . . . 0.0 111.528 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 72.4 m -157.28 160.67 38.81 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.334 1.853 . . . . 0.0 110.09 172.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.89 32.86 5.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.067 1.347 . . . . 0.0 112.005 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.65 -45.91 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.61 1.164 . . . . 0.0 109.797 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.7 p -120.1 8.8 11.01 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.27 1.428 . . . . 0.0 112.13 162.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 66.47 75.15 0.33 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.687 2.395 . . . . 0.0 109.426 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.56 147.8 48.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.871 1.669 . . . . 0.0 112.901 -165.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 p -105.09 139.54 39.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 167.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -117.92 92.66 3.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.888 1.675 . . . . 0.0 108.191 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.33 142.58 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 112.286 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.8 m -138.04 139.35 39.54 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 126.258 1.823 . . . . 0.0 108.442 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -153.62 153.18 31.83 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 123.427 1.584 . . . . 0.0 110.935 -166.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -103.75 162.94 12.67 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.41 -1.723 . . . . 0.0 109.784 147.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.318 0.0 OUTLIER 99.64 155.11 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 130.481 3.512 . . . . 0.0 112.674 -177.576 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.75 34.33 0.06 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.203 2.201 . . . . 0.0 114.864 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.46 153.65 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.157 -1.589 . . . . 0.0 111.271 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -120.34 147.17 45.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.715 2.006 . . . . 0.0 111.623 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.73 54.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.774 1.23 . . . . 0.0 114.081 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.484 1.114 . . . . 0.0 113.245 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.8 m -71.5 -37.24 71.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.867 0.467 . . . . 0.0 110.858 167.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.71 -39.63 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.377 0.671 . . . . 0.0 109.857 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -65.95 32.49 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.994 2.117 . . . . 0.0 114.338 166.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -151.6 -42.83 0.11 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.337 2.655 . . . . 0.0 109.086 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mm -51.22 -52.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.186 0.994 . . . . 0.0 111.517 166.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.5 -23.14 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.269 1.028 . . . . 0.0 111.555 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.78 -32.44 59.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.8 -0.562 . . . . 0.0 112.178 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.43 -15.61 56.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.891 0.877 . . . . 0.0 112.778 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -70.46 -11.72 61.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.894 164.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.52 17.41 31.23 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-O 118.662 -1.076 . . . . 0.0 114.921 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -121.28 -163.52 1.05 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.887 1.343 . . . . 0.0 111.478 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.38 149.4 24.13 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.92 2.088 . . . . 0.0 109.071 -174.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.16 155.32 9.55 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -151.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -151.91 140.46 20.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.873 2.069 . . . . 0.0 108.879 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 12.2 tt -55.62 128.09 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.907 0.86 . . . . 0.0 111.871 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 tp -95.28 -54.16 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.785 1.234 . . . . 0.0 107.977 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -151.83 141.31 21.62 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.141 1.777 . . . . 0.0 111.621 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.86 32.52 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.432 3.093 . . . . 0.0 114.257 166.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.255 1.349 0 C-N-CA 129.311 3.045 . . . . 0.0 110.4 -157.802 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.21 -11.78 0.05 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.661 1.584 . . . . 0.0 114.7 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.53 160.45 31.66 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.715 1.206 . . . . 0.0 110.715 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.89 129.72 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.208 1.003 . . . . 0.0 112.095 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -114.23 160.06 19.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.944 2.098 . . . . 0.0 112.624 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -108.98 135.47 50.11 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.426 1.49 . . . . 0.0 113.258 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -130.41 152.95 49.25 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.682 1.593 . . . . 0.0 111.368 168.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -147.05 126.46 13.15 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.335 -0.853 . . . . 0.0 111.383 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.26 147.88 49.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.78 1.632 . . . . 0.0 111.397 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -99.81 123.36 43.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.687 1.195 . . . . 0.0 108.992 162.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -123.32 135.67 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.977 1.311 . . . . 0.0 109.621 -172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.14 116.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.15 0.98 . . . . 0.0 109.812 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.1 mtm -137.96 125.05 21.47 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.661 1.184 . . . . 0.0 110.756 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -75.3 -45.83 37.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.794 1.238 . . . . 0.0 112.053 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -147.61 179.2 7.86 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -169.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -57.54 -24.42 55.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.741 1.616 . . . . 0.0 114.175 172.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.19 -28.45 56.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.398 -0.814 . . . . 0.0 112.21 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.16 -50.91 35.65 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.375 1.088 . . . . 0.0 111.016 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 p -67.98 -18.68 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.35 9.46 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.081 0.848 . . . . 0.0 111.509 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.22 81.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.7 0.8 . . . . 0.0 112.254 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.93 -45.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.27 0.628 . . . . 0.0 110.934 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -60.38 -37.79 81.87 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.013 0.824 . . . . 0.0 112.859 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -62.07 -45.0 95.46 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.469 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 63' ' ' THR . 10.1 t -65.14 -49.82 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 119.232 0.924 . . . . 0.0 111.817 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.71 -39.63 89.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.044 0.838 . . . . 0.0 112.383 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.7 m -60.91 -30.91 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.61 0.764 . . . . 0.0 112.234 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -60.56 -17.52 46.62 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.635 -1.29 . . . . 0.0 113.606 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -97.97 7.34 46.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.506 1.523 . . . . 0.0 114.23 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.66 -24.46 0.97 Allowed Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -59.08 -18.2 42.34 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 CA-C-N 121.874 1.705 . . . . 0.0 114.226 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -133.25 -18.5 2.26 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.022 1.329 . . . . 0.0 114.57 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -87.23 138.33 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.146 1.778 . . . . 0.0 109.923 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 p -114.81 -14.53 11.95 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -149.33 139.37 22.08 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.312 0.96 . . . . 0.0 112.824 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.8 mt -129.98 142.74 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.42 1.888 . . . . 0.0 108.627 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.18 110.32 5.0 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.372 -0.83 . . . . 0.0 112.244 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.84 144.97 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.78 1.232 . . . . 0.0 110.146 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 p -142.35 137.41 30.48 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.736 -1.227 . . . . 0.0 112.407 168.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.29 -50.44 7.85 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.49 -0.756 . . . . 0.0 110.931 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.46 -45.51 84.69 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.848 0.749 . . . . 0.0 111.792 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -96.57 0.9 50.72 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 59.91 19.78 8.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.127 2.171 . . . . 0.0 115.676 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.3 mt -94.69 149.08 21.61 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.401 1.096 . . . . 0.0 113.415 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.1 111.59 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.36 2.264 . . . . 0.0 107.875 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -106.75 130.21 54.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.16 1.384 . . . . 0.0 110.606 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.12 139.37 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.985 0.914 . . . . 0.0 111.291 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -125.46 124.96 42.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.195 1.398 . . . . 0.0 110.554 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -163.89 162.95 23.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.025 0.93 . . . . 0.0 112.842 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -86.0 -13.9 46.17 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.013 1.725 . . . . 0.0 113.351 163.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.41 145.17 97.35 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 119.819 1.19 . . . . 0.0 112.289 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.04 144.55 99.46 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.292 2.661 . . . . 0.0 113.026 173.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.77 -42.1 75.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.043 0.937 . . . . 0.0 112.198 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.12 -26.02 68.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.263 1.825 . . . . 0.0 113.29 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -81.34 -44.34 17.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.498 1.119 . . . . 0.0 110.913 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.67 -42.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -33.04 74.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.922 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.49 -29.54 64.94 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.398 1.454 . . . . 0.0 112.714 171.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -70.48 -43.2 70.26 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.418 -1.426 . . . . 0.0 112.084 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.89 -49.82 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.304 1.042 . . . . 0.0 110.468 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.09 -37.45 85.09 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.33 -0.856 . . . . 0.0 112.395 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.86 -14.3 21.12 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 25' ' ' VAL . 13.8 p -77.47 -16.52 58.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.775 1.17 . . . . 0.0 113.497 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.7 -16.05 43.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.386 1.469 . . . . 0.0 114.78 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -78.39 137.06 37.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.718 1.207 . . . . 0.0 111.196 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 161.48 30.9 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -113.98 136.98 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.955 1.702 . . . . 0.0 110.612 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.83 -37.3 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.417 1.087 . . . . 0.0 112.383 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.1 p -151.64 154.4 36.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.366 1.066 . . . . 0.0 111.528 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.16 127.12 2.32 Favored Glycine 0 N--CA 1.465 0.606 0 C-N-CA 124.357 0.98 . . . . 0.0 111.531 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -131.41 148.31 52.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.921 1.288 . . . . 0.0 112.139 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -117.16 131.56 56.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.426 2.69 . . . . 0.0 109.684 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.257 1.462 0 C-N-CA 124.86 1.264 . . . . 0.0 113.157 -169.392 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 179.85 147.81 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.419 3.087 . . . . 0.0 107.029 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.16 157.02 47.6 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 126.632 1.973 . . . . 0.0 110.352 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -159.03 142.17 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.476 1.11 . . . . 0.0 111.081 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mm -114.17 125.3 71.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.988 1.315 . . . . 0.0 107.843 170.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.18 144.29 40.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.665 0.666 . . . . 0.0 110.628 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.7 136.01 39.09 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 158.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.06 96.94 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -69.92 -22.55 63.19 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -152.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.8 -11.19 47.65 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-O 118.134 -1.37 . . . . 0.0 116.315 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm -85.16 140.39 30.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.033 1.917 . . . . 0.0 113.585 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -157.06 -17.47 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.17 1.388 . . . . 0.0 114.288 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.04 152.43 18.8 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.937 1.695 . . . . 0.0 114.215 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 18.2 m -73.94 -2.88 25.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.646 1.578 . . . . 0.0 113.859 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.01 -46.83 4.54 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.713 1.142 . . . . 0.0 112.153 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.4 m -56.87 -32.1 65.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.586 1.554 . . . . 0.0 113.385 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -77.16 -35.28 56.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.489 1.516 . . . . 0.0 113.303 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -25.54 67.25 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.48 1.036 . . . . 0.0 112.027 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -47.53 -42.66 23.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.491 1.516 . . . . 0.0 111.51 172.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 122.867 0.467 . . . . 0.0 110.431 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.37 -48.99 73.39 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.67 -0.644 . . . . 0.0 111.874 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 57.8 m -55.07 -36.72 65.91 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.283 1.433 . . . . 0.0 113.359 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -45.18 18.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.354 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.93 -41.39 36.51 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.68 1.127 . . . . 0.0 113.656 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.2 -24.01 66.96 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.805 1.184 . . . . 0.0 112.879 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.1 45.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 113.914 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.08 164.84 12.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.68 1.592 . . . . 0.0 112.596 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -67.9 162.23 24.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.56 1.144 . . . . 0.0 112.66 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -46.61 1.84 Allowed Glycine 0 N--CA 1.478 1.444 0 O-C-N 120.184 -1.572 . . . . 0.0 114.876 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.53 130.29 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 127.187 2.195 . . . . 0.0 111.16 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.6 p -126.69 -29.78 2.85 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.59 119.64 5.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.859 0.864 . . . . 0.0 111.029 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 73.1 m -109.38 128.05 54.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.811 1.244 . . . . 0.0 110.925 169.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -142.55 172.82 12.18 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.688 1.595 . . . . 0.0 109.894 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.29 158.93 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.637 1.975 . . . . 0.0 111.627 -171.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.0 m -124.59 130.76 53.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.438 0.695 . . . . 0.0 110.688 157.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.4 -38.26 26.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.658 1.183 . . . . 0.0 114.131 -163.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -74.81 -35.66 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-N 119.242 0.928 . . . . 0.0 111.665 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.1 p -90.06 -11.39 41.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.231 1.413 . . . . 0.0 113.573 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 69.47 37.39 2.0 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.133 1.773 . . . . 0.0 111.912 173.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.81 140.81 48.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.327 1.051 . . . . 0.0 112.729 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.01 133.46 48.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.208 1.403 . . . . 0.0 110.151 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -121.91 102.78 8.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.532 1.533 . . . . 0.0 107.652 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.8 142.21 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 0.0 112.315 -170.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -122.82 133.11 54.46 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 127.257 2.223 . . . . 0.0 108.085 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -153.47 -144.6 0.15 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 111.961 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.86 159.01 9.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.461 2.704 . . . . 0.0 111.113 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.12 18.9 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.96 2.104 . . . . 0.0 115.129 -168.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.12 -18.19 53.69 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.088 0.955 . . . . 0.0 111.696 156.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.47 151.72 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.256 1.822 . . . . 0.0 109.398 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -114.56 143.4 45.05 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.132 0.973 . . . . 0.0 113.194 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.0 -25.11 57.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.236 1.014 . . . . 0.0 113.505 169.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -70.03 -17.58 63.27 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.765 1.226 . . . . 0.0 113.49 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -92.52 -32.58 14.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.714 0.806 . . . . 0.0 111.584 166.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -58.67 -39.51 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.883 -1.136 . . . . 0.0 110.404 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -69.61 13.99 0.12 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 126.425 1.89 . . . . 0.0 114.601 172.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -123.02 -46.54 2.08 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.514 1.926 . . . . 0.0 109.56 164.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.46 -46.16 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.65 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mt -68.5 -27.59 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.55 0.74 . . . . 0.0 111.925 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.3 -30.06 25.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.912 172.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -70.09 -16.99 63.2 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 112.951 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.9 m -67.3 -29.46 69.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.746 1.218 . . . . 0.0 112.755 163.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.39 23.85 4.32 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.898 1.713 . . . . 0.0 115.754 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -115.81 -154.93 0.56 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.508 1.654 . . . . 0.0 110.724 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.51 146.68 15.24 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.137 1.775 . . . . 0.0 109.26 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -157.46 169.58 24.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -155.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.53 144.57 12.33 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.807 2.043 . . . . 0.0 109.225 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.09 107.3 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.413 0.625 . . . . 0.0 110.002 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tp -83.76 -47.13 11.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.656 1.583 . . . . 0.0 109.029 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.32 143.19 33.91 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.926 1.691 . . . . 0.0 108.441 166.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -69.94 22.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 159.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.256 1.431 0 C-N-CA 128.593 2.757 . . . . 0.0 111.797 -168.692 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.32 135.83 17.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.269 1.028 . . . . 0.0 111.275 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -159.49 141.23 13.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.775 0.83 . . . . 0.0 111.675 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.89 143.92 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.281 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 147.49 40.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.861 2.064 . . . . 0.0 110.558 170.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.88 130.73 39.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.633 1.173 . . . . 0.0 110.896 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -127.79 154.32 45.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.94 1.296 . . . . 0.0 111.546 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -138.82 134.82 33.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 110.64 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -135.83 153.35 51.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.962 1.705 . . . . 0.0 112.248 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -109.89 119.58 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.373 1.469 . . . . 0.0 111.012 169.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.87 144.32 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.574 1.149 . . . . 0.0 110.905 -166.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -88.9 90.22 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.567 1.147 . . . . 0.0 109.229 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -87.3 -40.24 14.66 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.658 1.183 . . . . 0.0 113.185 -168.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m 71.41 -27.38 0.18 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 128.351 2.66 . . . . 0.0 114.264 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -133.95 159.59 40.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.786 2.834 . . . . 0.0 110.676 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -77.89 -19.93 53.86 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.934 -1.104 . . . . 0.0 113.249 174.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.34 -19.86 77.82 Favored Glycine 0 N--CA 1.473 1.133 0 CA-C-N 119.023 0.829 . . . . 0.0 113.16 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 t -47.47 -37.96 12.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.582 1.953 . . . . 0.0 113.239 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -58.54 -28.47 65.51 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.31 -34.24 26.58 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.042 0.837 . . . . 0.0 112.909 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.96 21.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.806 1.243 . . . . 0.0 112.783 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.97 -46.7 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.66 0.784 . . . . 0.0 109.916 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -53.32 -54.08 41.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.274 0.63 . . . . 0.0 111.411 171.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -57.54 -31.82 66.47 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.13 -41.47 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.496 1.498 . . . . 0.0 111.6 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.73 -32.87 23.25 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -59.76 -20.89 59.44 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.362 1.437 . . . . 0.0 114.053 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -52.64 -21.69 4.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.308 1.043 . . . . 0.0 113.247 171.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.45 37.14 3.66 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.748 2.019 . . . . 0.0 112.871 -167.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -50.54 -33.82 9.67 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -70.78 -10.27 27.42 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.335 2.023 . . . . 0.0 114.062 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -119.66 -32.01 4.4 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.637 1.575 . . . . 0.0 112.769 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.72 129.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 126.667 1.987 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.7 p -100.17 -33.72 10.33 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -157.13 143.03 17.74 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -173.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.91 137.0 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.824 1.65 . . . . 0.0 108.593 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -136.26 131.54 34.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.733 1.213 . . . . 0.0 111.529 172.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.47 130.44 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.775 1.23 . . . . 0.0 109.827 -171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.4 m -120.46 116.7 25.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.081 0.952 . . . . 0.0 111.522 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.84 155.87 27.64 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.955 0.902 . . . . 0.0 111.951 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 78.08 -46.9 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.37 3.068 . . . . 0.0 111.04 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -73.14 -16.19 61.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.715 1.206 . . . . 0.0 112.538 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 49.65 35.94 9.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.171 2.588 . . . . 0.0 115.193 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 mt -96.04 152.49 18.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.029 1.331 . . . . 0.0 112.297 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.3 t -131.52 129.77 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.816 1.647 . . . . 0.0 108.953 169.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.69 133.23 53.37 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.532 1.933 . . . . 0.0 109.096 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.11 147.1 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.584 1.154 . . . . 0.0 111.633 -170.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.15 125.47 33.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.807 1.643 . . . . 0.0 111.985 166.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -168.49 157.18 8.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.246 1.418 . . . . 0.0 112.278 -173.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.2 p -77.87 -17.13 57.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.96 1.304 . . . . 0.0 113.275 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.98 154.76 93.25 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.448 1.099 . . . . 0.0 112.757 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -64.76 157.83 54.0 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.974 3.116 . . . . 0.0 114.016 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -55.1 -51.68 65.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.754 1.221 . . . . 0.0 112.89 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.49 -31.27 71.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.097 0.959 . . . . 0.0 112.73 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.91 -36.66 83.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 110.915 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.4 -36.29 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.026 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.18 -46.43 72.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.244 1.384 . . . . 0.0 110.764 169.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.85 -51.93 67.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 118.016 -0.993 . . . . 0.0 112.709 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.2 -22.96 61.95 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.189 1.359 . . . . 0.0 114.155 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.04 -57.53 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.577 1.08 . . . . 0.0 109.201 161.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.91 -29.17 70.37 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 113.721 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -57.07 -25.15 58.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.2 p -60.08 -20.07 56.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.064 1.346 . . . . 0.0 113.866 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.76 72.42 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.931 1.729 . . . . 0.0 113.322 -168.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -77.11 145.39 37.84 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.64 1.22 . . . . 0.0 111.305 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 165.18 19.77 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.79 1.236 . . . . 0.0 110.63 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.22 130.14 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.811 1.244 . . . . 0.0 111.127 -173.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -95.17 -41.83 8.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -160.81 165.2 30.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.776 0.83 . . . . 0.0 111.558 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.1 163.23 12.81 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 115.325 0.89 . . . . 0.0 115.325 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -159.71 164.07 34.23 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.563 1.145 . . . . 0.0 113.839 -171.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -71.05 147.97 48.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.413 1.085 . . . . 0.0 109.879 157.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--O 1.251 1.153 0 C-N-CA 124.791 1.237 . . . . 0.0 112.422 179.084 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.146 0.498 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -80.94 80.98 7.32 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.44 2.296 . . . . 0.0 112.368 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.17 128.89 37.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.604 1.162 . . . . 0.0 109.413 163.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 83.0 t -142.98 142.8 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.168 1.787 . . . . 0.0 108.963 -174.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.19 121.69 60.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.78 150.26 22.03 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.421 0.688 . . . . 0.0 109.371 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.62 138.73 33.22 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 157.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.8 118.6 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.678 1.991 . . . . 0.0 105.649 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -85.74 -57.2 3.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -159.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.42 52.37 4.65 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.693 1.14 . . . . 0.0 114.479 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptm -111.02 12.89 22.04 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -172.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -89.08 2.16 54.51 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -166.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 p -83.34 -113.73 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.546 1.138 . . . . 0.0 112.261 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.6 p -146.69 -95.24 0.09 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.14 70.35 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.943 1.297 . . . . 0.0 113.71 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.7 m -53.01 -28.17 22.82 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.681 1.592 . . . . 0.0 113.166 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -69.56 -41.5 75.81 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 121.224 -0.923 . . . . 0.0 112.196 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 117.455 -1.259 . . . . 0.0 110.178 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.9 m -57.58 -30.6 65.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.059 1.3 . . . . 0.0 111.761 173.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.07 -54.31 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.527 1.058 . . . . 0.0 110.071 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -53.63 -50.92 64.66 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.876 0.762 . . . . 0.0 111.869 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -44.58 -48.92 10.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 113.051 171.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -84.15 -29.03 27.01 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.06 -44.33 9.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.63 1.104 . . . . 0.0 113.631 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.14 -19.94 65.64 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.442 1.474 . . . . 0.0 112.842 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.21 -10.66 60.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.744 1.618 . . . . 0.0 114.901 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -78.72 121.55 24.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.391 1.077 . . . . 0.0 111.191 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -58.46 111.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 110.946 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.86 -27.25 6.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.687 2.089 . . . . 0.0 113.945 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.35 139.25 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.402 1.601 . . . . 0.0 109.417 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -110.63 -37.26 5.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 118.186 -0.911 . . . . 0.0 113.085 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -147.23 157.28 43.54 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.79 1.236 . . . . 0.0 112.97 -167.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.8 m -158.05 127.51 5.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.21 1.804 . . . . 0.0 112.94 -170.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.23 174.81 13.8 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.181 1.793 . . . . 0.0 111.114 168.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.38 166.88 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.499 -1.375 . . . . 0.0 113.737 -167.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -138.89 103.01 4.7 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.035 1.334 . . . . 0.0 112.072 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.05 -26.74 66.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.0 -36.16 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.117 . . . . 0.0 111.398 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -100.73 -3.95 29.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.574 -176.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.451 0.0 OUTLIER 69.76 28.23 4.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.804 2.842 . . . . 0.0 114.756 177.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -106.39 154.77 20.32 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.561 1.544 . . . . 0.0 113.812 -171.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 89.2 m -129.47 128.16 42.34 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.432 1.493 . . . . 0.0 111.042 166.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -97.18 93.74 6.72 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.833 2.053 . . . . 0.0 107.935 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -106.02 150.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 125.639 1.576 . . . . 0.0 111.554 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -141.97 125.04 16.26 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.951 0.901 . . . . 0.0 109.577 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -150.23 -157.98 0.87 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.334 1.054 . . . . 0.0 111.778 -172.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -151.16 169.43 21.9 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 129.59 3.156 . . . . 0.0 111.074 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.52 -23.5 10.64 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.377 2.271 . . . . 0.0 116.51 -162.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.5 -12.6 61.68 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.602 1.561 . . . . 0.0 115.153 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -122.79 154.77 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.264 2.226 . . . . 0.0 108.956 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -152.04 146.42 25.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 111.484 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.94 58.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.896 1.278 . . . . 0.0 113.184 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.59 -32.83 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.151 0.98 . . . . 0.0 112.972 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -87.73 -34.62 18.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.011 0.524 . . . . 0.0 111.695 173.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.55 -38.85 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.084 -1.01 . . . . 0.0 110.145 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -56.13 -14.88 3.0 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.869 . . . . 0.0 115.109 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.62 -40.23 7.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.575 1.55 . . . . 0.0 109.755 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.51 -51.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.279 1.432 . . . . 0.0 111.682 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 7.0 tt -78.08 -27.14 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.646 0.779 . . . . 0.0 112.005 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -68.39 -36.32 78.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.482 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -2.87 54.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.1 -13.65 59.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.796 0.839 . . . . 0.0 112.936 159.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.78 12.28 30.57 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.446 1.498 . . . . 0.0 115.782 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -100.16 -162.38 0.94 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.089 1.445 . . . . 0.0 110.657 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -162.05 142.14 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.257 2.623 . . . . 0.0 105.23 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -168.03 176.66 6.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -146.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.71 157.88 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.389 1.876 . . . . 0.0 110.442 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 tt -78.86 113.65 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 166.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -60.64 2.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -158.55 138.55 12.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.981 1.312 . . . . 0.0 111.517 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -69.02 78.26 0.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.092 1.357 . . . . 0.0 109.415 147.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.566 1.946 . . . . 0.0 113.474 -179.726 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ttt . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.63 143.09 2.65 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.291 1.436 . . . . 0.0 110.229 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.03 149.92 25.95 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 110.969 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.81 131.04 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 122.125 0.965 . . . . 0.0 109.439 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -115.74 153.71 30.89 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.184 2.193 . . . . 0.0 110.346 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -124.82 140.73 52.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.458 1.103 . . . . 0.0 111.503 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -145.74 144.76 30.54 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 125.152 1.381 . . . . 0.0 110.718 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -131.49 127.64 37.72 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.676 1.19 . . . . 0.0 110.048 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -121.7 144.77 48.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.703 2.001 . . . . 0.0 110.127 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.84 126.21 51.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.411 1.085 . . . . 0.0 109.491 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 t -148.42 137.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.336 1.454 . . . . 0.0 109.165 -163.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.76 127.08 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.9 mtm -138.7 124.42 19.72 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.602 0.761 . . . . 0.0 111.373 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -97.47 -158.28 0.65 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.723 1.609 . . . . 0.0 109.977 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -84.04 -141.65 0.07 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.938 1.295 . . . . 0.0 114.089 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 m -57.8 -38.49 75.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.331 1.852 . . . . 0.0 115.671 -156.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 -38.76 25.76 Favored Glycine 0 N--CA 1.473 1.138 0 CA-C-N 120.083 1.31 . . . . 0.0 111.991 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.92 -49.28 76.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.672 0.789 . . . . 0.0 110.623 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -57.73 -40.59 79.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.559 1.144 . . . . 0.0 113.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.72 -27.66 64.59 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.217 0.913 . . . . 0.0 113.565 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.58 -52.58 10.27 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.478 1.139 . . . . 0.0 111.773 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.95 -35.11 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.003 1.321 . . . . 0.0 110.858 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.67 -62.55 1.45 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.958 0.503 . . . . 0.0 111.906 168.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -56.75 -40.9 76.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 t -69.79 -28.17 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.32 0.964 . . . . 0.0 111.314 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.15 -27.18 14.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -58.62 -28.29 65.51 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.394 1.907 . . . . 0.0 113.911 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.67 -20.57 34.66 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.862 1.265 . . . . 0.0 113.316 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -93.93 -3.14 52.18 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.163 1.385 . . . . 0.0 114.432 -175.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -54.22 -28.38 3.7 Favored Pre-proline 0 N--CA 1.473 0.697 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.37 -24.58 69.06 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 122.189 1.818 . . . . 0.0 113.551 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -114.89 -25.4 8.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.129 1.372 . . . . 0.0 113.313 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.55 115.04 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.994 1.717 . . . . 0.0 109.812 176.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -40.32 43.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.261 0.624 . . . . 0.0 112.297 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -152.11 119.81 6.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.7 mt -90.51 132.58 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.82 1.248 . . . . 0.0 108.712 157.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -128.33 114.0 16.32 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.363 1.065 . . . . 0.0 110.52 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.7 mt -98.57 124.96 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.268 1.427 . . . . 0.0 109.86 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -115.85 83.5 1.95 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.059 1.344 . . . . 0.0 110.47 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -55.19 -48.2 74.16 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.183 1.793 . . . . 0.0 112.722 -173.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -62.32 -48.57 79.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.421 1.089 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -66.8 -18.25 65.28 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.793 0.837 . . . . 0.0 113.199 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 72.25 21.19 3.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.606 2.362 . . . . 0.0 111.808 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.92 149.45 27.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 122.363 1.078 . . . . 0.0 113.029 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.39 129.64 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 113.386 -1.734 . . . . 0.0 108.204 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.9 127.28 45.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.977 1.311 . . . . 0.0 110.343 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.17 136.44 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.554 0.742 . . . . 0.0 111.33 -170.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -113.4 124.35 52.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.381 1.873 . . . . 0.0 111.282 167.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -168.12 165.28 13.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.462 1.105 . . . . 0.0 112.386 -173.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -79.48 -19.87 48.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.932 1.693 . . . . 0.0 112.794 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.46 156.21 90.51 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.472 1.909 . . . . 0.0 112.482 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.35 158.62 14.88 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.553 2.836 . . . . 0.0 112.963 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -48.19 -49.88 31.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.559 1.943 . . . . 0.0 113.515 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.11 -35.23 80.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 112.611 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.36 -41.9 75.94 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.741 -0.599 . . . . 0.0 111.877 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.87 -45.78 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.906 0.882 . . . . 0.0 111.138 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.35 -32.93 74.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.474 -0.774 . . . . 0.0 112.401 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.46 -43.56 98.52 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.203 0.91 . . . . 0.0 112.535 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -67.89 -30.55 69.94 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.732 1.151 . . . . 0.0 113.049 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.11 -55.04 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.693 0.678 . . . . 0.0 110.168 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -57.08 -35.21 69.11 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.197 1.399 . . . . 0.0 112.703 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -54.08 -21.43 8.47 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.206 1.802 . . . . 0.0 114.753 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -65.04 -29.19 70.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.152 1.381 . . . . 0.0 114.538 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.74 1.41 56.34 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -93.29 161.08 14.54 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.996 1.398 . . . . 0.0 112.028 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.16 139.42 35.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.615 1.566 . . . . 0.0 112.121 -168.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -112.34 128.81 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.675 1.59 . . . . 0.0 108.63 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -105.09 -38.92 6.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -158.39 173.19 17.03 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.497 1.044 . . . . 0.0 112.404 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.12 162.93 20.01 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.832 1.093 . . . . 0.0 115.832 164.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -173.52 -173.34 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.597 1.959 . . . . 0.0 112.864 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 166.09 16.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.584 1.954 . . . . 0.0 113.083 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.063 1.745 . . . . 0.0 111.693 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -154.43 136.68 14.85 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.494 2.318 . . . . 0.0 107.812 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -96.18 161.79 13.81 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 127.071 2.148 . . . . 0.0 113.604 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.91 138.14 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.405 1.882 . . . . 0.0 109.221 168.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.7 mm -122.0 125.39 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.67 140.42 48.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.6 0.76 . . . . 0.0 110.901 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.55 118.25 30.44 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.58 105.65 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.84 1.256 . . . . 0.0 108.678 -169.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -70.5 -15.38 62.79 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -161.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.09 2.68 61.63 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.499 1.523 . . . . 0.0 115.343 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtm -71.82 150.85 43.93 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.745 1.773 . . . . 0.0 113.058 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -139.48 -54.82 0.57 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.338 1.455 . . . . 0.0 113.607 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -155.77 -100.98 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -154.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.9 p -158.41 141.6 14.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 128.472 2.709 . . . . 0.0 110.273 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 72.37 -52.22 0.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.95 2.5 . . . . 0.0 112.08 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -50.31 -22.09 1.66 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.669 2.387 . . . . 0.0 113.804 167.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -100.65 -41.73 6.81 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 128.048 2.539 . . . . 0.0 112.912 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -1.65 21.72 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.054 1.297 . . . . 0.0 113.126 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -48.17 -46.46 34.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.024 1.33 . . . . 0.0 110.9 153.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.12 -48.35 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.851 0.861 . . . . 0.0 110.187 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -55.15 -51.03 67.79 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.091 0.859 . . . . 0.0 111.663 170.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 51.9 m -52.7 -39.06 61.62 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.399 1.08 . . . . 0.0 112.79 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -85.84 -50.14 7.36 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.3 -44.0 72.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.503 1.047 . . . . 0.0 112.374 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -26.76 68.05 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.678 1.126 . . . . 0.0 112.187 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.96 -10.95 59.96 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -72.72 127.31 32.18 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.356 0.98 . . . . 0.0 110.393 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.65 108.33 0.38 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.2 -17.9 21.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.539 1.542 . . . . 0.0 115.06 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.76 134.48 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.631 1.716 . . . . 0.0 109.255 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -121.48 -31.23 4.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -147.33 143.74 28.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.229 1.411 . . . . 0.0 111.456 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 60.0 m -142.95 119.93 11.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.696 1.199 . . . . 0.0 111.768 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.44 168.43 12.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.692 1.997 . . . . 0.0 111.155 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.6 139.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.346 1.859 . . . . 0.0 113.203 -167.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 m -142.53 166.67 24.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.506 1.522 . . . . 0.0 112.232 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.32 29.84 7.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 112.81 -170.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -93.71 -54.96 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 120.982 -1.074 . . . . 0.0 109.568 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.03 -7.64 39.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.004 1.721 . . . . 0.0 110.996 161.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 70.34 50.72 0.4 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.532 2.333 . . . . 0.0 109.332 -163.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.44 139.63 30.53 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.685 1.594 . . . . 0.0 113.355 -170.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -106.34 134.43 49.48 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.469 1.508 . . . . 0.0 109.913 166.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -115.72 95.56 5.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.766 1.626 . . . . 0.0 108.001 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.61 142.2 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.214 1.405 . . . . 0.0 111.113 -171.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 68.2 m -126.83 131.74 51.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.692 1.997 . . . . 0.0 108.444 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.15 -164.27 1.98 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.332 1.063 . . . . 0.0 110.955 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -171.25 167.89 6.84 Favored 'General case' 0 CA--C 1.546 0.791 1 C-N-CA 132.968 4.507 . . . . 0.0 108.784 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 84.53 158.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.906 2.882 . . . . 0.0 113.213 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -44.16 -26.71 0.33 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.356 3.062 . . . . 0.0 117.491 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 p -48.16 145.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 127.253 2.221 . . . . 0.0 112.947 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -112.46 146.86 37.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.06 1.744 . . . . 0.0 112.591 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.78 58.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.114 0.965 . . . . 0.0 112.574 170.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.61 -20.88 66.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.127 1.371 . . . . 0.0 112.899 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -83.93 -38.08 21.5 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.959 -1.088 . . . . 0.0 111.475 168.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.48 -39.01 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.274 -0.891 . . . . 0.0 109.997 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.33 -4.01 0.12 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 128.956 2.902 . . . . 0.0 115.644 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -126.08 -39.18 2.1 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.613 1.965 . . . . 0.0 110.154 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.75 -39.42 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.117 -0.99 . . . . 0.0 111.234 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 tp -61.52 -25.86 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.137 -0.977 . . . . 0.0 112.238 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.61 -26.8 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -73.74 -21.57 60.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.782 0.719 . . . . 0.0 112.911 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 58.9 m -74.67 -13.93 60.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.651 0.78 . . . . 0.0 112.685 164.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.55 25.59 15.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.573 1.082 . . . . 0.0 115.149 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -123.56 -155.04 0.64 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.201 1.401 . . . . 0.0 109.872 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -168.53 158.95 9.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.98 2.112 . . . . 0.0 110.78 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -150.36 -173.27 4.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.754 1.222 . . . . 0.0 112.409 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -133.54 25.66 4.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.752 0.821 . . . . 0.0 110.107 162.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ILE . . . . . 0.517 HG22 ' H ' ' B' ' 69' ' ' LEU 0.34 41.8 mm 49.98 -155.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -147.069 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.517 ' H ' HG22 ' B' ' 68' ' ' ILE 0.274 0.1 OUTLIER -154.83 -43.25 0.09 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.123 1.369 . . . . 0.0 111.146 163.634 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -167.41 146.03 4.89 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 122.726 1.25 . . . . 0.0 111.537 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.08 28.46 0.51 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.519 2.327 . . . . 0.0 113.128 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.489 1.477 0 C-N-CA 130.26 3.424 . . . . 0.0 111.651 -173.147 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.31 -12.75 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.213 1.805 . . . . 0.0 113.9 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -81.63 112.82 19.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.304 0.956 . . . . 0.0 109.822 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.9 mt 57.02 123.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 128.871 2.869 . . . . 0.0 112.838 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -96.43 149.94 21.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.698 -1.251 . . . . 0.0 110.884 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.71 138.16 44.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.844 1.258 . . . . 0.0 109.261 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -138.17 153.57 49.19 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 125.081 1.353 . . . . 0.0 110.706 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -143.79 133.87 24.23 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.972 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -126.65 142.02 51.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.121 1.368 . . . . 0.0 111.048 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.06 121.18 31.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.509 1.524 . . . . 0.0 108.718 167.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 135.82 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.204 1.002 . . . . 0.0 109.708 -165.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.14 119.77 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.271 0.628 . . . . 0.0 110.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -145.34 107.1 4.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.86 0.864 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.4 m -63.1 -56.81 13.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.641 0.776 . . . . 0.0 111.05 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.75 175.2 9.02 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.543 1.537 . . . . 0.0 113.591 -162.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.89 -5.79 40.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.364 -0.835 . . . . 0.0 112.449 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 -28.64 43.47 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.889 1.709 . . . . 0.0 112.771 166.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.39 -55.42 15.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.464 1.632 . . . . 0.0 110.362 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.22 -34.71 75.55 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -41.26 94.9 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.209 -0.773 . . . . 0.0 112.959 175.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.38 70.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.576 1.15 . . . . 0.0 111.777 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.9 -49.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.17 -43.81 87.64 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.744 -0.597 . . . . 0.0 112.326 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.01 -30.14 70.63 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.728 1.149 . . . . 0.0 113.725 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.62 -43.35 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.277 -0.889 . . . . 0.0 111.388 167.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.08 -21.96 29.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 p -59.39 -24.64 63.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.954 1.706 . . . . 0.0 112.774 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.61 -15.08 24.53 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.499 1.12 . . . . 0.0 113.483 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.9 mt -109.98 5.64 22.46 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.968 1.707 . . . . 0.0 114.555 -173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.09 -28.85 2.45 Favored Pre-proline 0 N--CA 1.477 0.889 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -62.06 -16.9 53.17 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 CA-C-N 121.849 1.696 . . . . 0.0 114.975 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.42 -31.62 2.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.165 1.386 . . . . 0.0 113.098 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.84 125.45 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.69 1.596 . . . . 0.0 109.25 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -91.82 -39.41 11.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -154.48 120.43 5.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.653 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.2 mt -108.3 136.93 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.013 1.325 . . . . 0.0 108.861 171.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -144.51 122.55 12.1 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.647 -0.658 . . . . 0.0 111.822 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -98.96 142.25 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.551 0.691 . . . . 0.0 111.066 -174.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -121.06 85.98 2.5 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.256 1.823 . . . . 0.0 108.495 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.64 -34.88 76.49 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.166 0.987 . . . . 0.0 113.656 -168.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.82 -49.5 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.038 0.835 . . . . 0.0 110.795 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.27 7.54 9.29 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.363 1.065 . . . . 0.0 113.785 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 56.06 37.04 28.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.735 1.614 . . . . 0.0 114.739 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.275 3.8 pp -130.93 158.53 39.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.88 129.87 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.79 1.636 . . . . 0.0 109.653 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.29 131.95 51.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.054 1.742 . . . . 0.0 111.184 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.2 141.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.956 1.303 . . . . 0.0 110.611 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.59 129.74 53.04 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.689 1.596 . . . . 0.0 109.693 163.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -169.34 161.14 9.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.091 0.956 . . . . 0.0 113.202 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.6 p -72.75 -27.26 61.92 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.406 2.282 . . . . 0.0 112.987 164.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.14 150.58 97.38 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.448 1.499 . . . . 0.0 113.062 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.71 153.71 30.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.31 2.673 . . . . 0.0 112.74 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -50.94 -46.48 60.98 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.95 1.7 . . . . 0.0 113.048 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.37 -44.83 92.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.44 1.496 . . . . 0.0 112.499 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.43 -31.42 69.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.865 0.466 . . . . 0.0 111.972 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.92 -43.31 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.568 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.14 -49.1 64.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.323 0.965 . . . . 0.0 110.825 171.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.8 -53.05 62.09 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.552 1.141 . . . . 0.0 112.913 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.67 -30.98 71.79 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.267 1.394 . . . . 0.0 113.344 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.51 -56.23 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.429 1.013 . . . . 0.0 109.7 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -60.94 -32.37 71.89 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -53.16 -24.16 9.98 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 172.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.6 p -63.87 -23.01 67.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.15 87.15 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.906 1.241 . . . . 0.0 113.928 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -87.36 143.83 27.06 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.269 1.035 . . . . 0.0 109.86 162.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -84.8 142.87 29.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.831 0.853 . . . . 0.0 112.018 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.14 126.62 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.679 1.192 . . . . 0.0 109.571 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 mtp-105 -93.26 -42.91 9.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.503 1.121 . . . . 0.0 112.633 -171.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 p -165.41 167.9 17.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.82 1.248 . . . . 0.0 111.824 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.79 159.94 23.96 Favored Glycine 0 C--N 1.343 0.917 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -135.27 160.21 39.12 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 113.71 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -93.21 127.46 38.79 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.375 1.47 . . . . 0.0 109.476 163.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.249 1.078 0 C-N-CA 125.194 1.398 . . . . 0.0 112.304 -168.359 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -173.31 159.99 3.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.301 2.24 . . . . 0.0 106.889 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -134.61 153.33 52.02 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 127.099 2.16 . . . . 0.0 110.566 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -169.74 130.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 110.917 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.437 HG22 HD23 ' B' ' 69' ' ' LEU . 17.4 mt -107.76 124.08 63.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 163.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -116.91 142.25 47.19 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.588 0.755 . . . . 0.0 110.335 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 142.98 40.07 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.44 98.48 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -76.58 -6.39 51.73 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -155.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.71 4.03 29.16 Favored Glycine 0 N--CA 1.469 0.838 0 CA-C-O 118.197 -1.335 . . . . 0.0 115.632 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.94 136.95 36.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.197 1.998 . . . . 0.0 112.573 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.5 m -140.54 -39.25 0.43 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 111.674 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -114.07 164.13 14.24 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -163.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.4 m -78.77 2.29 20.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.295 1.438 . . . . 0.0 114.131 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.04 -59.62 1.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.165 0.893 . . . . 0.0 110.791 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.97 -18.28 62.63 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -170.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -67.91 -51.99 41.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.771 1.229 . . . . 0.0 111.616 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -19.68 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.846 1.203 . . . . 0.0 112.089 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -56.78 -35.22 68.44 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.235 0.925 . . . . 0.0 110.785 166.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.15 -53.61 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.399 1.0 . . . . 0.0 109.571 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -55.6 -46.81 77.26 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.173 0.897 . . . . 0.0 112.987 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -59.63 -41.77 91.22 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.557 1.072 . . . . 0.0 112.913 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.55 -31.13 62.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.973 1.26 . . . . 0.0 112.964 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.73 -45.02 69.11 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.738 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -49.42 -26.42 3.27 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.86 55.05 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.77 7.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 -167.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt 43.46 25.45 0.08 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.369 2.667 . . . . 0.0 116.61 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.19 -21.66 0.17 Allowed Glycine 0 N--CA 1.472 1.059 0 C-N-CA 125.165 1.364 . . . . 0.0 116.138 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -77.64 136.03 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.784 1.792 . . . . 0.0 109.254 172.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -110.46 -30.26 7.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.212 1.405 . . . . 0.0 112.398 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -157.34 147.37 20.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.283 1.833 . . . . 0.0 109.84 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.86 148.94 28.42 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.7 172.24 13.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.084 1.754 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -143.25 144.4 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 127.326 2.25 . . . . 0.0 109.113 -172.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 42.6 m -129.48 115.7 17.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.02 0.528 . . . . 0.0 110.573 162.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.14 -32.94 67.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.265 1.426 . . . . 0.0 114.432 -173.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.99 -37.0 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.087 0.858 . . . . 0.0 111.037 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.2 p -87.14 -19.86 27.88 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.565 1.546 . . . . 0.0 112.715 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.73 37.22 0.31 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.851 2.46 . . . . 0.0 112.23 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -118.6 152.22 36.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.708 1.603 . . . . 0.0 113.605 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 80.4 m -113.52 133.71 55.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.492 1.517 . . . . 0.0 110.026 166.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -114.45 94.24 4.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.142 1.777 . . . . 0.0 108.348 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.0 132.67 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.752 1.621 . . . . 0.0 111.547 -165.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 83.4 m -128.61 115.79 18.62 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.81 1.644 . . . . 0.0 108.136 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -135.06 -157.01 0.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.084 1.354 . . . . 0.0 112.309 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.58 163.39 19.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.294 2.238 . . . . 0.0 112.193 -160.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -6.42 2.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.413 2.285 . . . . 0.0 116.269 -165.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.31 -4.72 54.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.464 1.105 . . . . 0.0 113.091 168.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -149.05 163.29 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.496 1.498 . . . . 0.0 112.129 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.6 p -127.98 152.87 47.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.768 1.627 . . . . 0.0 112.238 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.29 69.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.73 0.812 . . . . 0.0 112.767 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.58 -35.09 78.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.72 0.808 . . . . 0.0 111.46 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 63.0 m -69.75 -39.52 76.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.835 0.854 . . . . 0.0 111.786 171.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.81 -44.78 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.554 -0.716 . . . . 0.0 109.792 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.87 11.81 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.257 2.223 . . . . 0.0 115.147 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -134.75 -42.53 0.75 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.275 1.83 . . . . 0.0 109.188 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 mm -53.32 -46.72 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.844 1.258 . . . . 0.0 112.251 165.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.81 -25.7 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.037 0.935 . . . . 0.0 112.194 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -74.25 -36.55 63.87 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -78.19 -0.8 29.85 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 170.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 95.8 m -85.0 -12.66 52.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.873 0.869 . . . . 0.0 113.219 166.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.95 22.46 9.33 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.42 -160.24 0.82 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.076 1.35 . . . . 0.0 111.18 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -154.67 154.64 33.26 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 129.154 2.982 . . . . 0.0 107.911 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.45 170.13 23.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -156.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -155.4 144.02 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.183 1.393 . . . . 0.0 109.312 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 tt -77.41 103.58 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.437 HD23 HG22 ' B' ' 5' ' ' ILE . 0.4 OUTLIER -85.3 -53.53 5.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.341 1.857 . . . . 0.0 110.078 -158.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -151.74 136.25 16.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.483 1.913 . . . . 0.0 108.138 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.06 15.0 0.6 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.485 1.317 0 C-N-CA 127.671 2.389 . . . . 0.0 114.051 -171.359 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 133.39 54.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 113.354 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.25 137.58 32.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.668 1.587 . . . . 0.0 110.257 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -69.8 129.24 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.675 0.75 . . . . 0.0 110.542 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -106.54 153.46 22.29 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.271 2.228 . . . . 0.0 111.184 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.96 134.79 48.51 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 111.548 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -128.32 146.87 50.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.968 1.307 . . . . 0.0 110.859 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -136.41 131.1 33.7 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.821 0.849 . . . . 0.0 111.183 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -127.84 142.01 51.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.405 1.482 . . . . 0.0 110.94 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -105.67 122.69 46.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.675 1.59 . . . . 0.0 108.196 168.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.71 144.08 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.388 0.994 . . . . 0.0 111.044 -159.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.46 120.76 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.0 0.92 . . . . 0.0 109.988 171.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.84 97.45 2.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.418 1.087 . . . . 0.0 111.359 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -64.7 -41.67 95.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.189 1.796 . . . . 0.0 113.809 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -157.91 178.03 10.68 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.205 1.402 . . . . 0.0 113.621 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -66.41 -12.31 56.38 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.103 0.961 . . . . 0.0 113.519 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.26 -30.64 10.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.772 1.653 . . . . 0.0 112.797 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -64.36 -52.07 60.16 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.288 1.035 . . . . 0.0 110.751 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -60.09 -39.65 86.87 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.727 -0.608 . . . . 0.0 112.045 171.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.03 95.75 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.033 0.833 . . . . 0.0 113.521 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -46.08 69.37 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.069 0.934 . . . . 0.0 112.025 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -58.84 -44.65 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.678 -0.639 . . . . 0.0 110.498 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.51 -37.19 75.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.582 1.153 . . . . 0.0 112.586 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.99 -30.01 71.27 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.005 -1.06 . . . . 0.0 112.964 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 t -71.29 -56.72 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.194 0.906 . . . . 0.0 110.98 169.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.93 -29.56 69.46 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -62.91 -18.62 63.28 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.606 1.162 . . . . 0.0 113.874 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.15 -10.52 54.78 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.868 -1.145 . . . . 0.0 113.415 172.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.96 6.62 31.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.339 1.456 . . . . 0.0 113.68 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -54.44 -21.93 0.65 Allowed Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -62.74 -21.17 72.77 Favored 'Trans proline' 0 C--N 1.353 0.796 0 CA-C-N 122.768 2.024 . . . . 0.0 113.582 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -122.68 -29.71 3.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.411 1.484 . . . . 0.0 113.055 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.96 120.31 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.791 1.637 . . . . 0.0 109.626 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -83.04 -41.93 18.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -151.15 131.22 13.45 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.76 138.4 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.345 2.258 . . . . 0.0 110.003 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -142.83 110.47 5.82 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.099 0.959 . . . . 0.0 112.098 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.74 129.01 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.386 1.474 . . . . 0.0 110.509 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -120.44 100.01 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.221 1.408 . . . . 0.0 112.308 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.57 148.87 38.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.96 1.304 . . . . 0.0 110.791 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 75.27 -41.86 0.46 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.954 2.502 . . . . 0.0 110.876 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.76 -30.02 68.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.863 1.665 . . . . 0.0 112.763 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 79.89 8.96 1.5 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.363 2.665 . . . . 0.0 113.572 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.72 154.65 18.14 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.116 -0.99 . . . . 0.0 113.427 -169.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.39 132.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.395 1.878 . . . . 0.0 108.884 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.76 129.13 54.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.799 1.64 . . . . 0.0 110.421 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -130.51 143.63 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.633 1.173 . . . . 0.0 111.266 -173.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.02 129.64 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.448 1.499 . . . . 0.0 111.578 166.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 t -170.12 163.76 9.18 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.508 1.123 . . . . 0.0 112.827 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.9 p -86.37 -13.47 46.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.462 1.905 . . . . 0.0 113.335 167.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.81 150.43 96.38 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.026 0.93 . . . . 0.0 112.983 -172.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.75 143.24 81.2 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.668 2.912 . . . . 0.0 112.82 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.0 -45.92 90.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.97 0.908 . . . . 0.0 112.328 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.57 -29.67 70.69 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -67.83 -38.26 82.99 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.483 0.583 . . . . 0.0 111.139 174.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.37 -41.27 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.445 -0.785 . . . . 0.0 111.493 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.13 -49.5 75.74 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.089 0.858 . . . . 0.0 110.913 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.53 -39.46 87.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.898 0.879 . . . . 0.0 112.908 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -68.61 -27.49 66.08 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.042 -1.037 . . . . 0.0 112.876 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -81.99 -55.98 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.453 1.101 . . . . 0.0 110.88 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.25 -41.94 72.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.93 1.292 . . . . 0.0 112.528 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.02 8.57 3.7 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -74.13 -13.13 60.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 167.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -0.6 78.46 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.464 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.58 151.49 19.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.527 1.164 . . . . 0.0 109.319 162.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -93.29 140.89 29.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.782 -0.574 . . . . 0.0 111.976 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 p -94.11 110.42 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.662 1.185 . . . . 0.0 108.327 169.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.0 -37.31 86.95 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.6 1.96 . . . . 0.0 111.497 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -169.7 144.69 2.93 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.287 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.44 144.32 15.18 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 125.585 1.564 . . . . 0.0 112.883 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -144.86 147.53 32.91 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.96 126.51 34.76 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 126.207 1.803 . . . . 0.0 109.76 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.001 1.32 . . . . 0.0 111.951 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.443 0.163 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.17 89.58 1.52 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 127.692 2.397 . . . . 0.0 109.601 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.62 140.73 56.13 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.667 1.187 . . . . 0.0 110.392 163.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 85.2 t -153.95 133.77 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.229 2.212 . . . . 0.0 108.662 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.405 HG22 HD23 ' B' ' 69' ' ' LEU . 18.6 mm -119.39 128.44 75.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 124.811 1.245 . . . . 0.0 107.859 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.0 145.01 50.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.156 0.583 . . . . 0.0 111.07 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.57 148.13 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.349 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 t -137.55 110.07 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.96 1.304 . . . . 0.0 109.361 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -99.82 70.38 1.62 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.94 1.296 . . . . 0.0 112.458 -168.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.44 37.26 0.03 OUTLIER Glycine 0 N--CA 1.475 1.275 0 N-CA-C 116.237 1.255 . . . . 0.0 116.237 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.2 mtp -68.39 -37.61 80.54 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -165.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.506 HG23 ' H ' ' B' ' 13' ' ' CYS 0.405 5.9 t 54.97 -124.68 2.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.57 2.348 . . . . 0.0 115.546 170.206 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' CYS . . . . . 0.506 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 m -79.97 172.45 13.76 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -154.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -64.7 -34.94 79.48 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.728 1.211 . . . . 0.0 113.604 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.26 -40.86 15.11 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 112.329 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.8 -40.27 69.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.52 1.928 . . . . 0.0 113.544 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.72 -45.09 94.38 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 125.609 1.564 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.83 46.4 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.223 0.92 . . . . 0.0 113.336 -173.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -49.69 -36.02 23.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.252 1.021 . . . . 0.0 110.655 165.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 86.2 mt -57.75 -52.32 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.525 0.73 . . . . 0.0 110.396 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.64 -50.67 72.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 112.193 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -53.22 -36.92 61.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.402 1.081 . . . . 0.0 112.934 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.67 -54.55 4.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.614 0.766 . . . . 0.0 112.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.1 -41.28 74.25 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.161 0.891 . . . . 0.0 112.501 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -71.71 1.14 7.25 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -0.08 33.65 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.339 1.855 . . . . 0.0 114.489 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -83.1 3.9 28.61 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 69.07 155.01 0.12 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 128.673 2.789 . . . . 0.0 113.43 -173.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 -32.56 0.62 Allowed Glycine 0 N--CA 1.48 1.588 0 C-N-CA 126.616 2.055 . . . . 0.0 114.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 p -43.85 129.36 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 128.608 2.763 . . . . 0.0 113.289 167.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -112.08 -38.78 4.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.079 1.352 . . . . 0.0 112.462 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.77 153.43 43.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.684 1.593 . . . . 0.0 111.45 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -159.46 100.13 1.48 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.473 1.509 . . . . 0.0 109.114 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.68 171.99 7.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.301 1.841 . . . . 0.0 110.385 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -143.09 166.44 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.18 1.792 . . . . 0.0 111.809 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 41.8 t -145.71 129.36 17.09 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.096 0.959 . . . . 0.0 111.044 163.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.98 -39.72 63.47 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.904 0.882 . . . . 0.0 111.888 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.28 -36.01 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.993 0.815 . . . . 0.0 111.733 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -112.5 10.99 19.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.363 1.065 . . . . 0.0 113.529 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 49.6 52.71 14.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.789 2.436 . . . . 0.0 114.236 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -135.48 156.7 48.47 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.85 134.37 54.4 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.051 1.74 . . . . 0.0 109.125 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -113.83 96.63 5.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.151 1.78 . . . . 0.0 107.152 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.76 133.82 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.145 0.978 . . . . 0.0 112.115 -171.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.5 m -133.37 138.08 46.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.308 1.443 . . . . 0.0 108.659 -164.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -156.93 131.19 8.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.804 1.241 . . . . 0.0 110.57 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.64 -47.95 79.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.473 1.109 . . . . 0.0 111.179 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -169.95 -150.49 0.08 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.459 2.304 . . . . 0.0 110.505 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 65.26 -35.34 0.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 131.493 3.917 . . . . 0.0 116.059 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.01 162.95 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.501 1.92 . . . . 0.0 110.843 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -132.66 145.09 50.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.7 2.0 . . . . 0.0 110.939 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.92 -30.46 61.68 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.094 1.358 . . . . 0.0 113.392 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.19 -38.73 92.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.455 0.702 . . . . 0.0 112.39 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.7 m -72.72 -39.22 67.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.731 0.412 . . . . 0.0 110.98 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 85.8 mt -56.66 -47.85 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.504 0.722 . . . . 0.0 110.066 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -64.1 -9.18 14.94 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.755 1.622 . . . . 0.0 114.111 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -100.32 -48.13 4.69 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 120.546 -1.346 . . . . 0.0 108.86 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 12.0 mm -56.5 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 112.523 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.17 -25.31 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.42 0.688 . . . . 0.0 111.947 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.87 -28.68 19.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 119.339 -0.362 . . . . 0.0 111.767 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -62.06 -29.49 70.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.549 0.739 . . . . 0.0 110.662 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.77 -33.24 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.784 1.634 . . . . 0.0 114.508 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 14.98 20.85 Favored Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.691 1.139 . . . . 0.0 115.285 -164.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.94 -163.2 0.97 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.592 1.196 . . . . 0.0 110.724 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -156.55 144.4 19.4 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 128.379 2.672 . . . . 0.0 107.617 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 18.9 p -160.97 169.33 22.78 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -162.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -155.4 148.96 25.14 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.449 2.3 . . . . 0.0 107.759 166.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.26 124.44 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.405 HD23 HG22 ' B' ' 5' ' ' ILE . 1.3 tp -99.13 -49.99 4.3 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.803 1.241 . . . . 0.0 109.598 -164.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -155.07 150.96 27.8 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.978 1.711 . . . . 0.0 110.351 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.87 19.41 0.86 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.763 2.425 . . . . 0.0 114.444 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 130.819 3.648 . . . . 0.0 112.195 -175.113 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.82 -154.75 0.24 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.124 1.77 . . . . 0.0 112.849 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 82.72 150.59 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.703 2.401 . . . . 0.0 112.593 169.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.2 mt -54.01 138.17 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.685 1.194 . . . . 0.0 111.153 166.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -103.57 151.7 22.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.865 1.266 . . . . 0.0 110.589 171.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -111.43 126.81 55.35 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 110.449 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -120.84 143.89 48.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.705 1.202 . . . . 0.0 111.518 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -134.27 130.92 37.81 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.664 0.785 . . . . 0.0 110.146 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -124.53 153.06 42.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.64 1.976 . . . . 0.0 111.468 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -101.77 123.72 46.2 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.538 1.535 . . . . 0.0 109.979 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.66 136.85 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.122 1.369 . . . . 0.0 110.367 -167.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.45 118.58 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.684 0.794 . . . . 0.0 111.596 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.1 mtm -145.37 135.04 23.41 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -175.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -84.37 -29.67 26.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.714 2.006 . . . . 0.0 115.554 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.2 p -166.58 165.64 16.61 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 -161.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -67.78 -16.5 64.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.59 -41.94 34.26 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.744 1.164 . . . . 0.0 111.123 169.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -58.51 -52.13 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.871 0.868 . . . . 0.0 110.949 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.7 p -66.54 -24.53 66.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.46 -42.77 47.49 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.245 0.929 . . . . 0.0 112.089 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.23 72.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.469 1.108 . . . . 0.0 111.71 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.43 -50.6 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.419 0.687 . . . . 0.0 110.202 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.53 -38.69 69.59 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.517 0.599 . . . . 0.0 112.518 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.95 -32.72 74.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 HG22 ' A' ' 63' ' ' THR . 18.7 t -67.35 -37.48 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.877 1.217 . . . . 0.0 110.906 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.59 -22.23 62.58 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.5 m -55.66 -26.58 45.37 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.455 1.502 . . . . 0.0 113.202 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.6 -24.74 34.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.44 1.496 . . . . 0.0 113.395 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -105.49 2.95 28.97 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.113 1.765 . . . . 0.0 113.974 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -53.43 -23.43 0.83 Allowed Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.37 -27.41 84.81 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 122.521 1.936 . . . . 0.0 113.454 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -121.82 -23.75 5.41 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.29 1.436 . . . . 0.0 114.177 -175.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.7 125.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.79 1.636 . . . . 0.0 109.516 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -81.95 -35.28 29.23 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -159.54 137.09 9.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 113.727 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.2 136.08 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.181 1.792 . . . . 0.0 109.285 163.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -143.89 119.24 10.24 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.61 1.164 . . . . 0.0 111.349 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.31 137.57 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.904 0.881 . . . . 0.0 110.988 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -114.88 87.03 2.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.223 1.809 . . . . 0.0 109.547 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.09 -45.32 83.45 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.484 1.114 . . . . 0.0 113.706 -167.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -67.1 -27.62 67.49 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -93.45 -4.23 51.63 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.024 0.93 . . . . 0.0 112.622 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 59.34 29.34 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.338 2.255 . . . . 0.0 113.184 -176.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.28 152.81 21.09 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 112.868 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.95 129.59 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.345 1.858 . . . . 0.0 109.379 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -113.99 134.43 54.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.764 1.626 . . . . 0.0 111.687 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.88 143.94 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.088 1.355 . . . . 0.0 110.879 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -125.04 120.49 31.65 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.883 1.673 . . . . 0.0 110.76 169.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -169.22 172.47 7.31 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 p -106.78 6.19 29.31 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.169 2.988 . . . . 0.0 113.127 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.8 159.96 79.93 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.485 1.114 . . . . 0.0 111.577 171.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -65.56 146.94 85.96 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.4 2.734 . . . . 0.0 113.69 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -53.13 -54.17 39.66 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.73 -27.5 64.01 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 112.927 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 59' ' ' LYS . 68.3 t80 -65.45 -39.29 91.86 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.77 -0.581 . . . . 0.0 110.983 172.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.4 mm -68.88 -40.73 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.487 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.45 -43.69 79.75 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.638 1.108 . . . . 0.0 111.309 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 32.0 mt-10 -62.48 -43.51 98.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.141 0.976 . . . . 0.0 113.278 175.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 mmtt -72.8 -19.46 61.33 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.988 1.267 . . . . 0.0 113.034 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -73.14 -53.44 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.126 -0.984 . . . . 0.0 110.167 164.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 44.8 mtmt -57.43 -31.86 66.32 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.45 1.023 . . . . 0.0 113.348 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -31.98 22.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.38 1.472 . . . . 0.0 113.89 170.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 HG21 ' A' ' 25' ' ' VAL . 44.1 p -63.11 -16.38 59.79 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.833 1.253 . . . . 0.0 114.191 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.92 -0.11 83.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.578 1.085 . . . . 0.0 114.06 -173.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.69 165.91 11.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.122 1.369 . . . . 0.0 111.41 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.87 137.46 33.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.949 1.7 . . . . 0.0 112.527 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.23 136.18 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.448 1.499 . . . . 0.0 109.199 163.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -101.63 -40.0 7.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.844 1.258 . . . . 0.0 113.587 -173.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 p -159.8 161.84 34.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.419 1.008 . . . . 0.0 111.265 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.03 154.48 17.2 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.26 167.26 29.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.584 1.554 . . . . 0.0 113.551 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.2 142.97 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.81 0.844 . . . . 0.0 110.655 158.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.942 -174.769 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -70.08 95.88 1.01 Allowed 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 127.987 2.515 . . . . 0.0 109.983 -173.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.94 137.15 58.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.855 156.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.0 144.72 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.677 0.751 . . . . 0.0 110.714 161.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -119.24 129.82 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.191 1.796 . . . . 0.0 107.29 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.31 142.68 48.88 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.469 0.577 . . . . 0.0 111.004 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 118.53 22.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.822 168.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.55 101.99 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.669 1.122 . . . . 0.0 108.672 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -75.92 -32.23 59.5 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.479 0.712 . . . . 0.0 112.81 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.2 -7.2 68.0 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.941 1.258 . . . . 0.0 115.664 -168.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.2 ptm -71.09 161.4 31.18 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.418 1.609 . . . . 0.0 111.675 173.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -140.67 -16.28 0.9 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 165.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 p -137.47 170.25 16.4 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -172.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -86.36 -1.97 58.01 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.51 -47.68 6.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.442 1.097 . . . . 0.0 112.743 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.81 -29.03 69.97 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.927 0.891 . . . . 0.0 112.834 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -29.76 68.23 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.34 1.056 . . . . 0.0 112.576 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -20.02 65.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.928 1.24 . . . . 0.0 112.426 174.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -57.3 -32.17 66.4 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.931 1.241 . . . . 0.0 110.842 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.77 -50.52 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.478 0.581 . . . . 0.0 109.742 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -59.17 -51.13 71.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -54.44 -38.94 66.9 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.314 1.415 . . . . 0.0 113.944 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.81 -33.51 24.92 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.747 1.158 . . . . 0.0 113.406 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.3 mt -80.47 -39.71 27.55 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.575 1.08 . . . . 0.0 112.686 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -61.94 -7.36 3.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.981 1.313 . . . . 0.0 113.661 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.99 -33.36 14.17 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.299 2.9 pp -83.54 17.48 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 117.614 2.45 . . . . 0.0 117.614 -160.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt 69.29 27.23 5.15 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.811 2.044 . . . . 0.0 114.296 167.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.62 -16.08 0.46 Allowed Glycine 0 N--CA 1.478 1.454 0 N-CA-C 117.768 1.867 . . . . 0.0 117.768 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.28 137.74 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.607 1.963 . . . . 0.0 110.789 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 43.6 p -93.46 -40.48 10.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.076 0.951 . . . . 0.0 111.85 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -161.36 157.55 25.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.148 1.379 . . . . 0.0 112.26 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -152.19 104.64 2.98 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.476 1.91 . . . . 0.0 110.253 -175.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -107.05 -176.49 3.09 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 110.778 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -156.16 139.4 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.357 1.463 . . . . 0.0 110.233 -175.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 65.1 m -114.15 109.25 18.11 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.041 0.936 . . . . 0.0 109.327 167.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.56 -35.64 73.19 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.681 1.592 . . . . 0.0 115.008 -163.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.1 t -73.4 -35.27 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.976 0.807 . . . . 0.0 112.072 -178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 10.3 p -96.34 -9.14 30.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.623 1.569 . . . . 0.0 113.325 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.12 30.99 13.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.302 2.241 . . . . 0.0 113.094 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -84.48 118.74 24.48 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.007 1.323 . . . . 0.0 109.763 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.48 122.23 30.94 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 165.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -119.54 90.22 3.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -164.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -122.17 148.39 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.182 1.393 . . . . 0.0 112.706 -167.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -141.66 117.81 10.67 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.313 1.445 . . . . 0.0 108.778 -167.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.58 -158.47 0.92 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.357 1.063 . . . . 0.0 110.914 -164.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -153.84 176.34 12.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.711 1.604 . . . . 0.0 113.52 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -41.17 -32.65 0.29 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 128.778 2.831 . . . . 0.0 116.294 -170.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.4 -35.62 3.77 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.738 2.415 . . . . 0.0 113.795 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.28 156.58 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.708 1.203 . . . . 0.0 111.014 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 154.07 37.95 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.955 1.702 . . . . 0.0 111.204 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.14 -31.57 63.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.362 1.065 . . . . 0.0 112.443 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.37 -33.49 73.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.92 0.888 . . . . 0.0 112.438 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m -85.15 -31.35 23.32 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.271 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.03 -40.66 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 172.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.6 2.45 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.468 1.907 . . . . 0.0 115.568 167.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -110.81 -46.55 3.34 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.537 1.135 . . . . 0.0 109.373 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -56.81 -48.57 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.075 1.35 . . . . 0.0 112.685 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.9 -24.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.047 -1.033 . . . . 0.0 110.936 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -88.81 -26.06 21.89 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.267 2.7 p30 -89.72 -5.98 56.49 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.052 1.296 . . . . 0.0 114.215 172.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 78.0 m -76.03 -22.35 55.84 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.986 153.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.25 16.3 12.53 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.537 1.541 . . . . 0.0 116.636 175.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -98.3 -148.37 0.33 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.986 1.893 . . . . 0.0 110.742 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -160.44 155.38 24.37 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.105 1.362 . . . . 0.0 108.534 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -166.64 165.79 16.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.62 158.46 43.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.346 1.858 . . . . 0.0 109.878 161.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.93 113.81 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tp -92.82 -44.37 8.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.828 1.251 . . . . 0.0 109.686 -165.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -157.81 156.34 31.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.425 2.29 . . . . 0.0 109.264 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.99 18.36 2.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.829 2.051 . . . . 0.0 112.578 166.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.255 1.373 1 C-N-CA 132.9 4.48 . . . . 0.0 109.281 -165.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.72 168.07 14.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.539 1.935 . . . . 0.0 111.442 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.73 162.31 33.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.179 0.992 . . . . 0.0 112.348 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.45 114.5 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.543 1.137 . . . . 0.0 110.5 172.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -104.65 156.56 17.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.653 1.181 . . . . 0.0 111.445 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -104.85 142.16 35.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.281 1.032 . . . . 0.0 112.072 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.3 149.23 42.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.604 1.561 . . . . 0.0 110.853 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -141.77 133.47 27.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.711 0.805 . . . . 0.0 111.488 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -127.71 142.1 51.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.247 1.419 . . . . 0.0 111.312 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.24 124.46 36.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.397 1.079 . . . . 0.0 108.995 161.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.42 139.28 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.718 1.207 . . . . 0.0 109.754 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -72.24 115.03 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.356 0.662 . . . . 0.0 109.752 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.9 mtm -137.19 121.91 18.63 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.564 1.146 . . . . 0.0 110.113 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.9 m -91.55 -30.36 16.44 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.027 0.931 . . . . 0.0 113.171 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -151.39 170.68 18.98 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 126.506 1.922 . . . . 0.0 111.734 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 m -71.26 -6.52 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.57 61.07 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 120.777 -1.202 . . . . 0.0 111.008 169.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.65 -45.47 90.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.768 0.784 . . . . 0.0 112.587 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -63.32 -38.31 90.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.629 1.104 . . . . 0.0 112.299 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -35.63 89.24 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.748 0.704 . . . . 0.0 113.089 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.13 72.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.119 0.968 . . . . 0.0 111.765 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.7 -43.93 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.227 0.611 . . . . 0.0 110.647 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.45 -47.81 72.45 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.913 0.779 . . . . 0.0 110.931 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.2 -39.74 79.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.391 0.996 . . . . 0.0 112.792 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.76 -46.85 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.762 1.165 . . . . 0.0 111.806 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.9 -33.66 30.34 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -67.44 -15.76 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.167 1.387 . . . . 0.0 112.493 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -74.81 -7.8 54.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.468 1.507 . . . . 0.0 113.74 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.5 mt -125.92 8.29 7.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.372 1.469 . . . . 0.0 114.672 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -48.2 -36.62 11.6 Favored Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 116.439 2.015 . . . . 0.0 116.439 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -53.95 -17.84 11.72 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.396 2.064 . . . . 0.0 115.858 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -119.36 -0.25 10.98 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.534 1.133 . . . . 0.0 113.373 173.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.14 118.81 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 109.098 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -98.25 -19.4 17.85 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 -168.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -156.87 139.65 15.16 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.472 1.109 . . . . 0.0 111.444 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -128.79 132.48 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.904 2.082 . . . . 0.0 107.859 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -145.42 105.17 3.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.184 0.993 . . . . 0.0 111.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mm -102.05 121.91 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.852 1.661 . . . . 0.0 110.382 -174.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -117.59 97.98 6.15 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.001 1.32 . . . . 0.0 110.717 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.95 -44.75 84.12 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.268 -0.895 . . . . 0.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.01 -48.07 83.25 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.24 0.927 . . . . 0.0 111.071 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -87.85 2.77 50.57 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.737 1.215 . . . . 0.0 113.508 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 53.23 25.42 4.35 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.657 2.783 . . . . 0.0 115.629 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.18 152.21 23.1 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.073 1.349 . . . . 0.0 113.339 -172.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.58 119.2 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 127.177 2.191 . . . . 0.0 107.748 174.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.3 121.24 39.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 109.775 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.37 140.89 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.647 0.779 . . . . 0.0 112.107 -171.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -117.31 123.72 47.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.195 1.798 . . . . 0.0 111.137 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -163.46 153.22 15.15 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.0 p -77.8 -10.23 59.44 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.144 1.778 . . . . 0.0 113.554 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.53 150.36 96.09 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.687 1.195 . . . . 0.0 112.575 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.59 150.84 36.23 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.634 2.889 . . . . 0.0 111.659 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.58 -44.95 89.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.83 -23.28 66.65 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -71.78 -34.54 69.52 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.34 -0.85 . . . . 0.0 111.912 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.99 -40.93 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.419 -0.8 . . . . 0.0 109.943 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.21 -41.56 97.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.419 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.07 -44.17 82.8 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.351 0.978 . . . . 0.0 112.954 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE2' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -61.73 -50.36 72.72 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.363 0.983 . . . . 0.0 110.5 174.468 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.05 -50.56 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.339 1.055 . . . . 0.0 111.737 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -66.56 -27.76 67.99 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.796 -1.19 . . . . 0.0 112.392 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -84.91 -9.64 57.9 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -9.28 58.29 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -169.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.63 87.09 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 119.564 1.075 . . . . 0.0 115.273 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -129.92 132.61 46.42 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.798 1.639 . . . . 0.0 109.067 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.7 141.97 55.15 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.981 0.512 . . . . 0.0 112.35 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.91 131.57 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 109.739 172.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -91.24 -43.66 9.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.76 0.824 . . . . 0.0 112.8 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p -158.17 126.07 5.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.845 0.858 . . . . 0.0 111.623 -171.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.01 131.08 6.29 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.903 1.239 . . . . 0.0 113.054 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -140.41 152.89 46.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.414 1.086 . . . . 0.0 113.754 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.33 139.7 38.94 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.557 1.943 . . . . 0.0 110.084 167.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.978 1.311 . . . . 0.0 113.389 -168.815 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -125.05 98.91 5.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.984 1.313 . . . . 0.0 111.017 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.54 126.57 28.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.912 1.285 . . . . 0.0 111.235 165.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.26 146.73 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.982 1.713 . . . . 0.0 109.624 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.06 127.05 69.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.15 151.0 24.58 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.741 0.7 . . . . 0.0 109.515 170.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.36 143.29 29.57 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 160.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.88 91.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.137 1.375 . . . . 0.0 109.112 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.11 25.09 0.16 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.72 20.75 2.72 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-O 118.117 -1.38 . . . . 0.0 116.379 -170.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.95 155.33 6.34 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.659 1.729 . . . . 0.0 114.518 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -166.93 175.46 7.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.599 1.959 . . . . 0.0 109.881 -161.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.25 176.45 2.75 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 128.164 2.586 . . . . 0.0 115.259 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -66.8 -23.28 66.04 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -164.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.35 -11.89 33.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.77 1.168 . . . . 0.0 113.653 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -99.08 -23.31 15.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.021 2.128 . . . . 0.0 113.004 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.93 -36.13 42.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.196 1.398 . . . . 0.0 113.754 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -67.46 -14.33 62.83 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -50.31 -31.28 13.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.038 0.935 . . . . 0.0 110.97 161.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.1 -73.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.312 0.645 . . . . 0.0 111.244 165.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -31.36 71.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -162.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.8 m -59.8 -38.52 82.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.174 0.897 . . . . 0.0 111.69 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.67 -36.66 57.18 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.357 0.98 . . . . 0.0 112.475 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 74.2 mt -58.27 -30.91 66.96 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.222 0.919 . . . . 0.0 111.981 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -77.4 -23.86 50.58 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.629 1.172 . . . . 0.0 114.091 170.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -35.62 51.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.876 -1.14 . . . . 0.0 113.736 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.33 10.98 9.18 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 -160.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 67.05 178.26 0.23 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 128.509 2.723 . . . . 0.0 113.082 -175.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.12 -47.05 1.9 Allowed Glycine 0 N--CA 1.478 1.487 0 C-N-CA 127.038 2.256 . . . . 0.0 115.706 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.8 131.88 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.894 2.077 . . . . 0.0 111.318 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -108.73 -28.29 9.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.442 1.497 . . . . 0.0 111.991 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -148.11 148.09 30.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.533 1.133 . . . . 0.0 111.601 170.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.2 p -145.72 148.37 32.94 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.655 0.782 . . . . 0.0 113.028 171.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -154.9 158.46 39.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.707 2.003 . . . . 0.0 110.168 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.53 138.01 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.389 1.475 . . . . 0.0 112.102 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -119.62 90.42 3.33 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.221 1.408 . . . . 0.0 110.459 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -52.54 -46.57 66.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.24 1.816 . . . . 0.0 113.034 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.44 -32.47 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.001 0.92 . . . . 0.0 113.21 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -114.45 2.63 14.7 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.761 1.625 . . . . 0.0 113.626 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.92 37.28 24.0 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.375 1.87 . . . . 0.0 113.444 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -122.62 169.64 10.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.285 1.434 . . . . 0.0 111.417 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -137.59 134.7 35.88 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.521 -0.737 . . . . 0.0 112.552 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -93.78 95.36 9.09 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.1 138.16 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 0.0 110.283 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -134.27 127.24 31.43 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.314 1.046 . . . . 0.0 109.32 -167.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.8 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.931 0.892 . . . . 0.0 112.761 -168.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -153.22 -177.49 6.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.133 2.573 . . . . 0.0 109.964 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.38 -18.85 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.304 1.442 . . . . 0.0 113.676 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -49.46 -23.91 1.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.436 2.294 . . . . 0.0 113.842 168.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -156.4 163.06 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.64 1.564 . . . . 0.0 112.145 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -125.51 145.9 49.89 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.494 1.518 . . . . 0.0 111.971 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -16.93 51.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.291 1.436 . . . . 0.0 113.455 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.7 -28.46 50.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.032 0.933 . . . . 0.0 112.938 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -78.7 -46.51 18.89 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 170.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -54.23 -43.95 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.242 0.617 . . . . 0.0 110.262 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -50.54 -49.4 56.01 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 123.521 0.728 . . . . 0.0 112.95 172.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -78.27 -26.46 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.282 1.401 . . . . 0.0 110.781 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.32 -51.85 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.834 1.253 . . . . 0.0 110.781 168.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mm -75.97 -23.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 121.3 -0.875 . . . . 0.0 111.618 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.05 -32.37 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.755 0.822 . . . . 0.0 111.924 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.04 -21.11 61.58 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.937 1.244 . . . . 0.0 113.732 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.58 -18.79 61.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.525 1.13 . . . . 0.0 113.489 170.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.76 23.17 8.41 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.175 1.369 . . . . 0.0 115.329 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.47 -158.23 0.65 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.678 1.239 . . . . 0.0 110.109 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.43 16.74 2.03 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -163.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.82 154.37 39.53 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -162.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -160.06 145.78 15.41 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.719 1.607 . . . . 0.0 108.241 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 tt -54.05 131.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.654 0.74 . . . . 0.0 112.25 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -95.97 -52.29 4.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.321 1.448 . . . . 0.0 107.849 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -162.42 138.89 7.72 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.909 1.284 . . . . 0.0 111.426 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.13 60.97 0.43 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.785 2.434 . . . . 0.0 111.634 167.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 130.015 3.326 . . . . 0.0 113.628 177.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.06 47.59 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.683 1.593 . . . . 0.0 111.088 -168.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -98.38 165.05 12.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.609 1.564 . . . . 0.0 110.863 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.94 138.17 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.883 0.849 . . . . 0.0 110.941 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -112.37 159.02 19.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.928 2.091 . . . . 0.0 110.685 165.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -117.59 140.78 49.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.341 1.456 . . . . 0.0 111.286 171.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.5 150.9 44.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.602 1.961 . . . . 0.0 110.673 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -136.57 134.74 37.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.519 -0.738 . . . . 0.0 110.543 172.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.66 138.03 52.7 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.895 1.278 . . . . 0.0 111.175 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.66 119.85 35.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.413 1.485 . . . . 0.0 109.222 166.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.51 130.68 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.746 1.218 . . . . 0.0 110.833 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.55 97.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.19 0.996 . . . . 0.0 109.401 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -73.32 -31.33 63.93 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -161.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p 73.97 -36.92 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 129.685 3.194 . . . . 0.0 114.445 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.54 175.29 10.0 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 127.73 2.412 . . . . 0.0 110.567 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 m -71.41 -16.39 62.39 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.72 73.17 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.912 0.778 . . . . 0.0 113.47 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.01 -44.85 64.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.737 1.215 . . . . 0.0 112.828 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -59.05 -22.13 60.23 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.4 -41.44 4.82 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 125.042 1.306 . . . . 0.0 112.315 170.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.62 55.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.376 1.07 . . . . 0.0 112.044 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.04 -41.09 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.146 0.578 . . . . 0.0 110.545 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -55.13 -51.24 67.08 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.257 0.623 . . . . 0.0 110.871 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -61.35 -47.9 83.78 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.571 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.35 -43.31 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 120.27 1.396 . . . . 0.0 111.528 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.81 -28.42 62.55 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.343 -0.848 . . . . 0.0 112.984 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -62.6 -30.53 71.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.256 1.022 . . . . 0.0 111.935 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -56.39 -21.26 23.79 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.665 1.12 . . . . 0.0 113.531 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -112.36 11.89 20.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.696 1.598 . . . . 0.0 113.785 -170.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.01 -30.91 6.36 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.72 -17.89 52.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 121.891 1.711 . . . . 0.0 113.607 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -107.96 -35.16 6.7 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 112.785 168.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.36 105.75 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.045 1.738 . . . . 0.0 110.801 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 p -84.44 -18.22 36.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.401 1.48 . . . . 0.0 114.818 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -162.38 136.32 6.41 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.272 1.029 . . . . 0.0 112.954 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.37 127.56 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.936 1.694 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.07 138.51 40.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.867 1.267 . . . . 0.0 111.186 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.2 mm -105.29 146.44 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -131.49 101.44 5.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.889 1.275 . . . . 0.0 110.813 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.13 -51.43 63.95 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.5 -52.05 50.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.137 0.881 . . . . 0.0 110.857 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.05 -4.56 25.64 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.211 1.404 . . . . 0.0 113.327 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 55.9 30.96 16.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.709 2.004 . . . . 0.0 113.621 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.94 155.99 17.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.819 1.248 . . . . 0.0 113.162 -175.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.31 131.83 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.339 1.856 . . . . 0.0 109.174 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.71 118.45 36.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.284 1.834 . . . . 0.0 110.066 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.66 134.82 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.714 1.206 . . . . 0.0 110.866 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.58 132.55 54.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.442 1.497 . . . . 0.0 109.646 168.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.92 154.1 7.51 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -171.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -75.62 -6.75 51.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.556 1.542 . . . . 0.0 113.562 169.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.86 157.81 78.7 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.835 1.654 . . . . 0.0 113.868 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.58 159.8 48.05 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.96 3.107 . . . . 0.0 112.138 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.96 -52.79 17.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.053 1.341 . . . . 0.0 113.861 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.39 -21.85 66.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.66 -39.87 94.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.586 0.754 . . . . 0.0 111.583 170.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.2 mm -73.91 -38.87 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.304 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.87 -50.23 64.22 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.462 0.574 . . . . 0.0 110.957 173.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.32 -44.21 79.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.582 0.753 . . . . 0.0 112.885 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.89 -33.53 71.96 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.156 1.344 . . . . 0.0 112.771 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.59 -59.77 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.748 1.219 . . . . 0.0 110.483 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.17 -35.65 69.83 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.574 1.079 . . . . 0.0 113.187 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 3.22 20.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -63.23 -33.48 75.58 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.234 -0.916 . . . . 0.0 112.065 163.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.97 -3.0 14.58 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.116 1.341 . . . . 0.0 114.008 -170.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -108.52 141.83 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.751 1.276 . . . . 0.0 112.085 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -81.78 158.44 24.12 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.594 1.158 . . . . 0.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.38 143.89 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.619 1.168 . . . . 0.0 111.322 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.45 -42.95 21.73 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.312 -0.242 . . . . 0.0 110.998 172.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -171.61 148.6 2.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.365 1.066 . . . . 0.0 112.951 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.6 159.57 21.03 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.404 1.002 . . . . 0.0 111.529 159.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -140.86 150.63 43.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.989 0.899 . . . . 0.0 113.15 167.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -98.44 130.03 45.06 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.898 2.079 . . . . 0.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.257 1.823 . . . . 0.0 111.262 -174.598 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -161.49 117.45 2.12 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.687 1.195 . . . . 0.0 112.398 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -66.78 132.18 47.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.688 1.195 . . . . 0.0 109.352 154.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.37 142.58 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.822 1.649 . . . . 0.0 111.884 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -118.76 108.7 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.864 1.666 . . . . 0.0 107.685 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.56 135.82 45.26 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.409 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.09 145.93 35.51 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.741 1.155 . . . . 0.0 110.374 170.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.52 113.62 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.12 1.368 . . . . 0.0 107.739 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -84.39 25.82 0.84 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -165.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.31 18.44 2.67 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.251 1.405 . . . . 0.0 115.488 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.7 mmt -51.45 151.8 2.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.967 1.384 . . . . 0.0 113.703 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -170.26 -148.7 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.997 1.719 . . . . 0.0 110.465 -160.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -74.51 172.62 11.65 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.904 1.681 . . . . 0.0 114.08 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -75.67 -26.57 57.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -155.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.9 13.35 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.648 1.113 . . . . 0.0 111.366 174.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -56.5 -37.01 69.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.931 1.293 . . . . 0.0 112.505 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.4 p -79.14 -56.1 4.62 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.417 1.487 . . . . 0.0 112.871 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -71.52 6.79 1.67 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.747 1.158 . . . . 0.0 114.104 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -38.96 -49.81 1.72 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.218 1.007 . . . . 0.0 110.596 145.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.17 -55.87 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.762 0.825 . . . . 0.0 110.686 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -58.38 -44.91 89.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.46 0.704 . . . . 0.0 111.722 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 48.6 m -45.93 -35.01 4.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.719 1.208 . . . . 0.0 114.103 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -91.55 -47.91 7.15 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.561 1.528 . . . . 0.0 113.382 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pp -70.76 -29.89 66.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.988 1.267 . . . . 0.0 113.341 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -60.06 -29.55 68.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.519 1.054 . . . . 0.0 112.192 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.93 -6.69 59.02 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -169.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.271 3.8 pp -73.48 10.54 1.01 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -169.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt 59.08 28.51 17.81 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.647 2.779 . . . . 0.0 113.757 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.64 -3.93 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.332 1.92 . . . . 0.0 116.651 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.8 t -94.6 129.02 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.146 1.473 . . . . 0.0 108.438 173.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 24.4 m -97.95 -47.72 5.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.219 1.008 . . . . 0.0 110.944 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -136.14 148.84 48.4 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.901 1.681 . . . . 0.0 109.901 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 p -176.2 133.65 0.25 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.817 1.247 . . . . 0.0 113.981 -167.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.75 -178.89 6.0 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.441 2.696 . . . . 0.0 108.776 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.19 153.13 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.05 2.14 . . . . 0.0 110.985 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -135.23 148.48 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.2 1.4 . . . . 0.0 109.223 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.26 12.46 29.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.12 -35.7 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.804 0.729 . . . . 0.0 110.925 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.41 -20.55 8.42 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.354 1.462 . . . . 0.0 111.476 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.253 78.0 m-20 90.2 47.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.802 3.241 . . . . 0.0 110.504 -174.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -111.04 149.43 30.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.731 1.612 . . . . 0.0 114.465 -170.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.6 m -91.15 126.48 36.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.565 1.146 . . . . 0.0 109.098 161.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.32 85.47 2.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.323 1.049 . . . . 0.0 108.947 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.72 157.29 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.79 1.636 . . . . 0.0 112.009 -160.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.2 m -147.47 136.26 22.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.979 1.712 . . . . 0.0 109.504 -173.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.64 147.13 37.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 123.213 1.482 . . . . 0.0 111.261 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.36 -68.22 0.64 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 128.729 2.812 . . . . 0.0 113.589 -173.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 178.0 154.6 0.34 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.408 2.683 . . . . 0.0 108.917 -173.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 80.38 36.17 0.12 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 129.583 3.153 . . . . 0.0 111.099 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.9 t -159.02 148.7 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.543 2.337 . . . . 0.0 108.714 -161.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -148.41 147.66 29.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 110.545 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.37 -27.01 67.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.19 -35.65 69.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.694 1.198 . . . . 0.0 112.61 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 m -78.83 -37.02 41.6 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.118 0.967 . . . . 0.0 111.651 175.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.14 -35.68 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.624 -0.673 . . . . 0.0 110.285 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -54.76 -33.69 61.58 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.856 -1.152 . . . . 0.0 112.661 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.85 -28.55 55.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.057 1.299 . . . . 0.0 110.62 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.14 -47.4 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.11 1.364 . . . . 0.0 110.101 171.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.37 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.72 -32.88 60.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.881 0.472 . . . . 0.0 111.574 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.37 -19.75 63.84 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -81.74 -4.29 55.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.808 1.643 . . . . 0.0 112.683 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.91 9.54 65.82 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.477 1.513 . . . . 0.0 116.329 172.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.14 -155.25 0.43 Allowed 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.897 1.848 . . . . 0.0 111.892 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.25 137.0 17.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.997 2.119 . . . . 0.0 107.152 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -167.61 158.3 11.13 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -155.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.24 17.41 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.904 1.281 . . . . 0.0 110.601 -171.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 tp -75.89 107.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.54 -43.91 16.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 109.085 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -155.37 145.58 21.79 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.754 2.022 . . . . 0.0 108.006 169.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.29 47.59 0.57 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.135 -0.978 . . . . 0.0 112.211 161.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.253 1.266 0 C-N-CA 130.857 3.663 . . . . 0.0 111.805 -168.264 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.773 -0.084 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.16 155.65 24.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.982 1.313 . . . . 0.0 112.659 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -84.43 45.55 1.14 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.909 2.084 . . . . 0.0 112.612 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.9 mt -81.74 113.85 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 125.977 1.711 . . . . 0.0 110.391 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -85.76 162.0 18.91 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.928 1.291 . . . . 0.0 111.55 169.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -121.91 121.8 37.94 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.24 1.816 . . . . 0.0 110.103 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.12 149.17 43.96 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.768 1.227 . . . . 0.0 111.198 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -129.33 146.31 51.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.443 1.097 . . . . 0.0 109.875 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -138.94 141.79 38.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.761 1.624 . . . . 0.0 110.283 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -106.13 116.85 32.64 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.74 2.016 . . . . 0.0 108.357 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.57 139.85 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.4 1.08 . . . . 0.0 109.765 -161.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.57 113.83 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 122.961 0.504 . . . . 0.0 109.791 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.5 tpp -125.69 104.58 8.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.409 1.084 . . . . 0.0 110.002 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -81.85 -21.85 37.3 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -164.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -160.21 167.96 26.46 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.601 1.56 . . . . 0.0 112.598 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -67.99 -15.94 63.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.838 -1.164 . . . . 0.0 112.896 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.72 -38.15 37.74 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.476 1.036 . . . . 0.0 111.735 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.0 -45.6 92.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.671 1.188 . . . . 0.0 110.84 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -55.29 -45.96 76.2 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.968 0.507 . . . . 0.0 112.122 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.73 -40.17 98.87 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 123.296 0.474 . . . . 0.0 112.706 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.23 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.694 1.197 . . . . 0.0 112.01 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.71 -43.35 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.478 -0.764 . . . . 0.0 110.931 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.08 -35.74 75.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.334 -0.853 . . . . 0.0 112.272 172.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -62.93 -46.2 88.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.783 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.6 t -52.14 -50.54 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 119.429 1.013 . . . . 0.0 111.283 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.32 -22.49 57.62 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -68.41 -26.17 65.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.026 1.284 . . . . 0.0 111.84 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -56.81 -15.73 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.451 -1.406 . . . . 0.0 113.456 165.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.0 mt -107.91 9.47 28.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.8 1.64 . . . . 0.0 113.551 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -50.08 -29.97 2.84 Favored Pre-proline 0 N--CA 1.48 1.047 0 CA-C-N 121.834 2.106 . . . . 0.0 115.835 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -58.47 -18.4 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 CA-C-N 121.354 1.519 . . . . 0.0 114.607 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.65 -19.21 3.77 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.503 1.921 . . . . 0.0 113.79 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.95 134.27 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 109.591 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -91.15 -46.52 8.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.637 0.775 . . . . 0.0 112.667 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -156.34 136.09 12.54 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.41 1.084 . . . . 0.0 112.269 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.59 132.69 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.199 1.4 . . . . 0.0 110.042 169.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -139.85 116.77 11.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.127 0.971 . . . . 0.0 111.481 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.52 142.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.729 1.612 . . . . 0.0 110.332 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -127.06 97.41 4.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.347 1.859 . . . . 0.0 109.466 171.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.0 -48.95 64.35 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -166.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -43.44 89.35 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.134 1.334 . . . . 0.0 111.002 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -82.59 0.76 41.39 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.441 1.896 . . . . 0.0 113.445 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 52.55 38.21 25.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.363 2.665 . . . . 0.0 114.781 174.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.278 3.7 pp -125.01 157.2 36.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.78 130.5 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 126.53 1.932 . . . . 0.0 108.559 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -107.83 137.53 45.68 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.018 1.727 . . . . 0.0 109.752 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.55 147.48 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.846 1.259 . . . . 0.0 110.953 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.47 130.48 49.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.873 1.669 . . . . 0.0 110.496 166.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -167.54 154.79 8.55 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.75 1.159 . . . . 0.0 113.374 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.2 p -80.27 -12.41 59.62 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.869 1.268 . . . . 0.0 112.894 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.33 152.36 96.54 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 112.819 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -71.44 151.58 59.56 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.448 2.766 . . . . 0.0 111.981 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.37 -42.89 87.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.84 1.256 . . . . 0.0 113.411 -171.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.83 -23.19 67.16 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.799 1.24 . . . . 0.0 112.763 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.88 -37.88 58.43 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 111.673 173.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.7 mm -71.12 -39.61 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.954 0.902 . . . . 0.0 111.939 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.02 -47.21 68.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.517 0.599 . . . . 0.0 111.053 173.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.28 -31.9 70.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.7 -46.28 90.36 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 120.155 1.343 . . . . 0.0 111.275 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.15 -52.04 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.19 0.996 . . . . 0.0 110.462 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -53.9 -37.32 63.65 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.205 1.002 . . . . 0.0 112.42 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -63.33 -23.38 67.39 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.7 p -73.08 -18.43 61.31 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -174.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.73 2.81 88.54 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.357 0.98 . . . . 0.0 114.76 -173.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HE3' HG21 ' B' ' 19' ' ' THR . 5.9 mptt -94.87 127.79 41.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.315 1.446 . . . . 0.0 109.178 174.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.14 136.12 38.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.809 0.731 . . . . 0.0 112.623 -172.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -88.66 144.64 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.325 1.05 . . . . 0.0 111.347 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -110.44 -50.78 2.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 112.263 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -155.15 171.32 19.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.655 1.982 . . . . 0.0 110.345 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.92 171.09 42.52 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.57 1.081 . . . . 0.0 114.284 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -163.64 164.63 23.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.08 145.97 26.58 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.746 1.619 . . . . 0.0 111.055 162.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.127 1.371 . . . . 0.0 112.998 -170.169 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -161.69 126.36 3.41 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.252 1.821 . . . . 0.0 111.416 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.31 153.33 43.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.391 2.276 . . . . 0.0 111.655 166.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.71 138.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.538 1.135 . . . . 0.0 111.827 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.5 mm -119.08 128.18 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.41 145.25 48.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.911 0.778 . . . . 0.0 112.059 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.91 137.68 32.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.36 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.2 112.17 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.137 1.775 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.18 -0.46 49.4 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -164.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.72 23.71 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.339 1.924 . . . . 0.0 115.734 -165.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.79 134.87 36.49 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 120.105 1.952 . . . . 0.0 113.885 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -110.47 -152.19 0.49 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 127.256 2.222 . . . . 0.0 110.379 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.57 -35.77 15.71 Favored 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -160.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.3 t -169.55 -121.12 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.223 1.009 . . . . 0.0 112.364 -168.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -19.49 62.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.416 1.486 . . . . 0.0 114.941 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 p -50.25 -45.98 54.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.72 1.208 . . . . 0.0 111.691 164.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -71.55 -39.99 70.3 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 124.347 1.059 . . . . 0.0 112.968 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -65.35 -9.55 25.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.325 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.451 HG21 ' HE3' ' A' ' 65' ' ' LYS . 60.3 p -51.67 -35.83 44.05 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.504 1.502 . . . . 0.0 112.438 165.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.01 -57.7 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.5 1.12 . . . . 0.0 110.898 167.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.23 -48.13 81.35 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.77 0.714 . . . . 0.0 112.326 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -50.47 -44.65 55.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.631 1.172 . . . . 0.0 112.599 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -77.28 -45.52 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.442 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.53 -44.53 82.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.08 1.309 . . . . 0.0 112.969 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.69 -29.55 64.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.949 0.899 . . . . 0.0 111.981 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.0 -5.65 54.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.16 129.86 34.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.201 1.364 . . . . 0.0 112.845 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -51.21 126.61 17.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.975 0.91 . . . . 0.0 110.113 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.39 -32.55 6.61 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.252 1.882 . . . . 0.0 114.388 -174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.74 114.56 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.649 1.725 . . . . 0.0 109.541 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.3 t -96.9 -36.87 10.43 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.51 0.724 . . . . 0.0 111.998 -175.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -143.12 154.7 44.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.687 1.595 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 39.6 t -160.72 114.31 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.688 1.595 . . . . 0.0 110.002 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -118.64 166.05 13.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.052 1.741 . . . . 0.0 111.465 171.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 tt -156.99 128.49 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.93 2.092 . . . . 0.0 111.453 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -122.81 111.06 16.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.087 0.955 . . . . 0.0 111.637 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.54 -34.35 75.4 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.97 -50.14 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.15 0.886 . . . . 0.0 111.473 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.1 p -78.45 -17.64 56.05 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m120 79.32 17.87 0.82 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.812 2.445 . . . . 0.0 113.026 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.73 147.99 24.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.268 1.027 . . . . 0.0 112.837 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 73.8 m -108.7 140.66 41.79 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.117 1.367 . . . . 0.0 109.722 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -122.78 96.79 5.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -173.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 t -125.47 136.61 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.031 1.332 . . . . 0.0 110.384 -164.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -129.04 117.48 20.96 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -166.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -128.4 -157.2 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.745 0.783 . . . . 0.0 112.294 -165.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -178.73 163.23 1.43 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.051 2.94 . . . . 0.0 112.51 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.84 -6.67 1.33 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -166.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.25 -13.46 62.0 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.371 1.068 . . . . 0.0 112.79 165.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -151.86 171.86 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.216 2.206 . . . . 0.0 110.797 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -130.31 159.4 37.05 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.682 1.593 . . . . 0.0 112.359 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.14 -16.49 64.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.95 -38.24 82.57 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.834 1.254 . . . . 0.0 111.447 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -67.01 -44.02 81.39 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.004 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.44 -46.63 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 119.672 1.124 . . . . 0.0 110.486 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.7 -45.02 66.7 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -77.09 -18.78 57.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.27 1.828 . . . . 0.0 111.754 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mm -80.46 -46.31 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.09 1.356 . . . . 0.0 110.4 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -60.24 -34.83 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.291 0.496 . . . . 0.0 110.329 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.52 -36.78 57.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.333 -0.841 . . . . 0.0 113.047 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -70.19 -20.39 63.12 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.486 1.494 . . . . 0.0 113.763 171.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -70.15 -16.28 63.07 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.191 -0.943 . . . . 0.0 112.657 166.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 20.07 15.17 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.731 1.634 . . . . 0.0 115.078 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -108.4 -155.95 0.57 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.63 1.172 . . . . 0.0 110.404 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -160.17 142.94 13.47 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.641 1.577 . . . . 0.0 108.706 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.45 165.28 21.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -161.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.73 140.29 16.9 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.042 2.137 . . . . 0.0 108.585 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.74 125.23 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.499 0.72 . . . . 0.0 111.154 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.29 -50.3 4.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.456 1.902 . . . . 0.0 110.226 -165.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -151.62 141.38 21.87 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 125.73 1.612 . . . . 0.0 110.49 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -78.35 55.92 1.64 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.111 1.765 . . . . 0.0 110.202 160.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.251 1.162 0 C-N-CA 129.465 3.106 . . . . 0.0 112.886 -175.348 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.08 160.66 39.12 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.519 1.527 . . . . 0.0 111.005 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -86.94 58.05 4.85 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.927 1.346 . . . . 0.0 111.916 -175.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.25 128.24 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.587 1.955 . . . . 0.0 110.533 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -103.64 159.74 15.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.587 1.155 . . . . 0.0 111.077 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -115.77 133.83 55.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.338 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -128.95 146.55 50.93 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.548 1.539 . . . . 0.0 111.074 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -132.68 129.13 38.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.904 0.882 . . . . 0.0 110.082 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -123.53 141.8 51.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.981 1.312 . . . . 0.0 111.051 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.12 125.16 48.74 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 108.176 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.4 t -140.67 139.39 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.393 1.077 . . . . 0.0 109.962 -163.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.9 t -68.75 118.18 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.97 0.508 . . . . 0.0 109.873 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.1 mtm -140.22 109.17 6.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.819 0.848 . . . . 0.0 110.875 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.0 -43.96 70.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.375 -176.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -142.2 176.59 8.85 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -70.37 -12.0 61.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.207 1.403 . . . . 0.0 112.902 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 -38.16 16.33 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.45 1.5 . . . . 0.0 111.452 166.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.68 -52.77 59.18 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.427 1.114 . . . . 0.0 111.371 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.9 p -65.97 -19.36 65.83 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.085 -1.009 . . . . 0.0 112.847 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.36 -36.45 44.65 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.299 0.952 . . . . 0.0 112.438 172.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.49 71.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.885 0.874 . . . . 0.0 111.34 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.99 -49.08 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.261 0.624 . . . . 0.0 110.708 173.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -52.43 -52.32 54.57 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.763 0.71 . . . . 0.0 111.609 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.64 -25.7 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -65.66 -45.76 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.505 1.048 . . . . 0.0 110.902 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.75 -35.1 62.6 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -64.77 -27.92 69.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 121.005 1.73 . . . . 0.0 113.49 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -62.93 -12.25 24.11 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.551 -1.343 . . . . 0.0 112.974 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.7 mt -106.31 18.52 21.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.605 1.962 . . . . 0.0 112.998 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -46.16 -33.42 2.32 Favored Pre-proline 0 N--CA 1.48 1.066 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 170.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -63.63 -16.07 52.51 Favored 'Trans proline' 0 C--N 1.354 0.844 0 CA-C-N 121.735 1.655 . . . . 0.0 114.206 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.72 -35.92 2.28 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.894 1.678 . . . . 0.0 114.128 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.1 t -93.57 120.78 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.185 1.794 . . . . 0.0 108.59 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.47 -20.86 14.94 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -165.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.58 135.55 8.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.546 1.539 . . . . 0.0 111.015 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -131.2 153.31 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.607 1.563 . . . . 0.0 110.448 166.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.26 114.99 6.42 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.214 1.006 . . . . 0.0 110.53 169.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.21 137.61 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.285 1.434 . . . . 0.0 110.534 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -129.93 92.32 3.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.399 1.48 . . . . 0.0 111.818 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.6 tp -54.96 -58.98 5.41 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.39 -35.95 76.95 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.748 1.158 . . . . 0.0 112.367 -170.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -91.15 5.46 48.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.802 1.241 . . . . 0.0 114.32 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 59.88 25.81 14.97 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.2 2.6 . . . . 0.0 115.387 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.96 153.68 22.72 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.787 1.235 . . . . 0.0 113.781 -172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 133.88 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.861 2.064 . . . . 0.0 109.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -113.66 132.62 55.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.02 1.728 . . . . 0.0 109.704 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 t -134.86 138.11 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.484 1.114 . . . . 0.0 111.981 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -127.03 120.45 29.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 111.792 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -163.96 160.28 21.75 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -87.86 -3.08 58.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.631 2.772 . . . . 0.0 113.618 168.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.16 153.06 77.02 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 124.363 1.065 . . . . 0.0 112.291 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.23 140.97 94.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.015 2.477 . . . . 0.0 113.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -50.9 -44.38 59.97 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.551 1.141 . . . . 0.0 111.718 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.34 -34.1 76.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.32 1.048 . . . . 0.0 113.778 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.0 -38.76 79.47 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.828 1.251 . . . . 0.0 111.04 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -66.44 -39.62 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.396 174.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.46 -48.44 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.564 1.075 . . . . 0.0 111.548 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.62 -44.66 95.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.435 0.694 . . . . 0.0 112.576 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.9 -37.51 82.48 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.992 1.269 . . . . 0.0 112.871 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.85 -52.15 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.257 0.935 . . . . 0.0 110.592 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.49 -31.44 71.42 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.958 -1.089 . . . . 0.0 112.966 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.68 -15.42 28.63 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.017 1.327 . . . . 0.0 114.523 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.5 p -63.99 -17.67 63.53 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.123 1.329 . . . . 0.0 113.945 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.84 -12.61 68.99 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.25 0.928 . . . . 0.0 114.377 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.94 174.68 10.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.859 1.264 . . . . 0.0 111.741 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.41 149.63 26.84 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.012 1.325 . . . . 0.0 112.403 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.71 122.81 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.671 1.988 . . . . 0.0 108.775 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -89.26 -34.53 16.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.51 1.524 . . . . 0.0 111.833 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -160.38 159.4 31.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 112.789 166.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.97 154.26 22.15 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.33 1.443 . . . . 0.0 112.001 166.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -155.56 152.79 29.24 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.59 120.9 42.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.262 2.225 . . . . 0.0 108.871 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.324 1.45 . . . . 0.0 113.025 -170.173 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 -160.68 -147.15 0.14 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.616 2.766 . . . . 0.0 109.21 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -156.44 161.68 40.06 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.044 2.138 . . . . 0.0 110.869 -174.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -153.16 141.85 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.919 1.288 . . . . 0.0 109.494 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.33 136.12 60.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.592 1.157 . . . . 0.0 107.936 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.28 149.44 45.7 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.191 0.996 . . . . 0.0 111.894 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.91 147.37 35.07 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.889 0.476 . . . . 0.0 110.303 166.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.01 108.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.016 1.326 . . . . 0.0 110.258 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -86.45 -23.91 25.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -163.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.78 -5.61 89.24 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 -167.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.6 ptp -81.31 147.48 29.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.431 1.092 . . . . 0.0 112.389 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -141.72 -30.0 0.6 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.7 168.02 28.42 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 122.282 1.039 . . . . 0.0 112.93 -161.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 88.4 p -71.85 22.6 0.05 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -167.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.06 -44.75 1.28 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.821 -1.174 . . . . 0.0 113.016 172.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.06 -32.91 74.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 p -58.53 -53.74 54.92 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.824 1.65 . . . . 0.0 112.599 173.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -26.02 68.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.261 0.937 . . . . 0.0 111.624 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.02 -36.49 7.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.273 1.429 . . . . 0.0 111.611 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.81 -50.12 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 119.097 -0.477 . . . . 0.0 110.083 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.92 -51.16 69.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.023 0.829 . . . . 0.0 111.456 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.8 m -48.96 -44.9 41.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.978 1.311 . . . . 0.0 112.713 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -90.65 -41.42 11.33 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.63 -37.5 62.79 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.138 1.335 . . . . 0.0 111.876 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.48 -23.97 53.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.671 1.123 . . . . 0.0 113.078 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.73 -4.47 59.18 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.164 1.386 . . . . 0.0 114.273 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.01 119.0 16.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.633 1.106 . . . . 0.0 109.614 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 111.63 1.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.67 -0.644 . . . . 0.0 109.489 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.42 -4.88 26.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.308 1.908 . . . . 0.0 115.268 -170.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -107.84 135.73 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.481 1.641 . . . . 0.0 109.17 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -102.93 -38.62 7.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.055 0.942 . . . . 0.0 112.97 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -158.84 153.27 24.18 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.706 1.202 . . . . 0.0 112.486 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -136.82 117.46 13.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.717 1.607 . . . . 0.0 111.819 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.58 163.94 11.98 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.025 1.73 . . . . 0.0 110.844 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -143.27 152.69 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.444 1.898 . . . . 0.0 109.352 -165.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.1 t -144.71 118.57 9.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.636 -1.29 . . . . 0.0 109.89 154.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.88 -29.69 25.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.697 1.999 . . . . 0.0 110.905 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -58.27 -26.11 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -124.4 6.65 8.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.275 1.43 . . . . 0.0 114.151 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.73 44.58 3.72 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.761 1.624 . . . . 0.0 113.674 169.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.4 159.82 39.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.07 1.348 . . . . 0.0 113.518 -170.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 58.9 m -140.07 146.76 39.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.004 1.322 . . . . 0.0 112.36 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -121.16 102.47 8.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.081 1.752 . . . . 0.0 108.991 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.15 135.85 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.689 1.596 . . . . 0.0 109.953 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.0 m -120.76 118.92 31.27 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 126.677 1.991 . . . . 0.0 106.763 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -154.6 -174.29 4.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.456 1.598 . . . . 0.0 110.997 -158.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.13 166.6 27.36 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 127.514 2.326 . . . . 0.0 113.153 -166.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -55.67 -21.62 19.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.635 1.574 . . . . 0.0 115.098 -162.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.6 -16.28 63.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.326 1.85 . . . . 0.0 114.448 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 95.4 t -124.37 149.41 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.727 1.611 . . . . 0.0 109.314 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -120.9 139.64 52.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.379 1.872 . . . . 0.0 108.922 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.07 -28.1 69.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.39 -21.06 66.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.799 1.64 . . . . 0.0 113.815 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -80.46 -41.33 24.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 110.882 168.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.4 -40.4 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.47 -0.769 . . . . 0.0 109.968 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -64.72 4.14 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.765 1.626 . . . . 0.0 114.97 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.1 -46.12 2.21 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.672 1.589 . . . . 0.0 109.181 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.13 -42.88 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.211 1.004 . . . . 0.0 112.204 174.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.18 -18.05 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.51 0.596 . . . . 0.0 112.164 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.75 -36.75 42.7 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.035 0.379 . . . . 0.0 110.335 167.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.63 -5.08 26.78 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.125 -0.984 . . . . 0.0 113.096 166.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.5 m -91.53 -9.35 44.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.634 1.174 . . . . 0.0 112.979 162.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.63 29.61 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.823 1.202 . . . . 0.0 115.301 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -118.9 -164.35 1.03 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.198 1.499 . . . . 0.0 111.02 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -164.17 140.38 6.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.74 2.816 . . . . 0.0 107.341 -172.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.2 p -167.73 169.74 11.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -149.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.9 144.22 16.23 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.071 1.748 . . . . 0.0 108.772 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -74.81 108.26 6.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 124.294 1.038 . . . . 0.0 108.219 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.51 -50.97 9.94 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -167.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -156.66 147.77 22.09 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.179 1.791 . . . . 0.0 111.634 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.29 61.39 0.64 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.764 2.426 . . . . 0.0 110.281 160.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.588 1.155 . . . . 0.0 114.099 -174.802 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.75 163.05 24.92 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -167.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -86.25 60.32 6.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 123.135 1.445 . . . . 0.0 110.999 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.19 129.21 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.938 1.695 . . . . 0.0 110.412 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.84 158.57 18.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.697 1.199 . . . . 0.0 111.515 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.28 118.21 33.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.506 1.122 . . . . 0.0 111.092 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.93 144.72 42.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 124.559 1.144 . . . . 0.0 110.444 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -131.61 138.29 48.74 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.535 0.734 . . . . 0.0 109.489 171.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.58 135.1 48.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.776 1.231 . . . . 0.0 109.897 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -84.97 122.56 29.39 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 157.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.58 137.46 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.878 1.271 . . . . 0.0 109.615 -170.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.3 t -69.09 104.86 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.892 1.277 . . . . 0.0 109.31 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -141.36 138.21 32.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.986 0.915 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.32 4.28 9.72 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 t -149.63 151.79 34.35 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.124 1.37 . . . . 0.0 112.779 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 m -62.44 -12.29 20.96 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.344 1.057 . . . . 0.0 112.936 165.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -27.54 63.44 Favored Glycine 0 C--N 1.343 0.948 0 C-N-CA 123.987 0.803 . . . . 0.0 112.784 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.2 -49.44 43.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.816 1.308 . . . . 0.0 110.584 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -64.83 -32.13 73.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.365 -0.834 . . . . 0.0 112.348 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.28 95.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.241 -0.912 . . . . 0.0 112.587 170.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.03 80.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.544 1.137 . . . . 0.0 111.952 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.9 t -55.77 -49.82 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.519 0.727 . . . . 0.0 110.913 173.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.0 -38.0 78.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.735 0.698 . . . . 0.0 111.593 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -66.46 -51.14 60.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 0.0 113.12 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.41 -37.74 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.617 1.098 . . . . 0.0 111.453 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.5 -22.63 50.93 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -69.35 -13.31 62.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.645 1.178 . . . . 0.0 113.146 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -79.86 -8.39 59.27 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.668 1.187 . . . . 0.0 113.75 167.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.8 mt -123.28 18.12 9.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.499 1.919 . . . . 0.0 113.154 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -59.04 -28.2 4.37 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 116.743 -1.598 . . . . 0.0 115.192 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.25 -22.5 74.24 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 CA-C-N 122.039 1.764 . . . . 0.0 113.424 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -108.2 -34.24 6.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.747 1.219 . . . . 0.0 113.503 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.84 119.82 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.38 1.472 . . . . 0.0 109.944 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.6 p -86.4 -28.24 23.69 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -155.06 140.84 18.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.638 1.175 . . . . 0.0 113.572 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -119.32 139.09 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.387 2.275 . . . . 0.0 107.824 167.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -155.11 140.13 17.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 109.735 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 mt -129.81 139.13 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.794 0.838 . . . . 0.0 110.941 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -125.36 74.52 1.39 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.323 1.849 . . . . 0.0 110.589 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.25 -36.68 43.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.887 2.075 . . . . 0.0 113.95 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.0 -21.98 65.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.319 1.048 . . . . 0.0 113.609 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -116.76 22.72 12.47 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.73 2.012 . . . . 0.0 112.565 164.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 55.52 14.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.778 2.831 . . . . 0.0 117.071 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.31 3.8 pp -104.88 151.94 23.24 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -119.92 130.05 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.214 2.205 . . . . 0.0 108.496 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.91 122.1 43.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.024 1.73 . . . . 0.0 110.201 171.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.66 139.79 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.443 1.097 . . . . 0.0 109.963 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -124.57 121.83 35.87 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 110.163 166.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -167.2 160.48 13.77 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.5 p -86.97 -5.01 59.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.953 2.501 . . . . 0.0 113.805 168.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.33 155.6 93.18 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.952 1.301 . . . . 0.0 111.966 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.94 150.04 77.92 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.724 2.95 . . . . 0.0 112.614 171.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.26 -44.77 88.52 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.558 0.743 . . . . 0.0 112.031 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.725 1.21 . . . . 0.0 113.401 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -68.74 -37.57 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.438 0.695 . . . . 0.0 111.519 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mm -69.01 -37.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.369 -0.832 . . . . 0.0 111.308 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.76 -43.05 76.35 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.058 0.844 . . . . 0.0 111.751 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.98 -41.51 70.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.871 1.268 . . . . 0.0 112.933 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.07 -36.13 83.02 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.321 -1.487 . . . . 0.0 112.28 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -45.67 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.349 0.977 . . . . 0.0 110.849 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -56.92 -44.52 82.52 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 111.868 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.85 -37.99 89.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.3 m -61.29 -33.93 74.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.313 1.445 . . . . 0.0 110.515 171.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.7 12.7 27.64 Favored Glycine 0 N--CA 1.466 0.649 0 C-N-CA 124.795 1.188 . . . . 0.0 114.731 167.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -108.19 152.09 25.05 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.817 1.308 . . . . 0.0 112.084 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.69 139.13 31.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.342 -0.849 . . . . 0.0 111.862 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.55 132.73 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 109.26 167.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -80.18 -58.69 3.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.16 0.584 . . . . 0.0 110.113 167.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -161.2 147.45 14.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.849 1.26 . . . . 0.0 111.69 165.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.06 170.93 25.75 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 125.326 1.441 . . . . 0.0 112.924 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -168.52 160.79 11.26 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.746 1.219 . . . . 0.0 113.444 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.45 142.25 33.13 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 167.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.015 1.726 . . . . 0.0 112.806 -176.063 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.269 0.556 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -112.2 122.92 49.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 129.809 3.244 . . . . 0.0 106.509 -176.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.43 139.13 57.85 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.288 1.435 . . . . 0.0 110.572 166.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.81 139.91 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.807 1.243 . . . . 0.0 107.747 155.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.9 130.47 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 171.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.36 145.47 39.05 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.781 0.832 . . . . 0.0 111.374 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.86 141.81 44.19 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.772 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -132.24 102.03 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.64 -21.74 55.06 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -157.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.49 70.71 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.095 1.331 . . . . 0.0 116.188 -172.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ptm -80.02 176.17 9.98 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.154 1.477 . . . . 0.0 112.15 171.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 -37.55 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.59 1.156 . . . . 0.0 112.424 163.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -121.06 -178.15 3.68 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 123.002 1.382 . . . . 0.0 114.073 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 46.7 m -77.95 6.12 8.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.221 1.408 . . . . 0.0 114.233 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.73 -50.72 3.22 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.637 1.108 . . . . 0.0 112.746 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p -66.08 -31.63 72.62 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.797 1.18 . . . . 0.0 113.212 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.55 -42.81 99.77 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.782 2.433 . . . . 0.0 114.059 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -13.22 62.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.343 1.428 . . . . 0.0 113.427 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -47.69 -45.15 28.15 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.689 1.595 . . . . 0.0 110.632 162.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.89 -57.52 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.724 1.209 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.99 -47.81 71.04 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.392 0.996 . . . . 0.0 113.283 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -48.61 -49.37 37.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.896 1.278 . . . . 0.0 112.091 171.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.35 -41.99 19.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.06 -43.89 64.19 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.872 1.269 . . . . 0.0 111.446 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -56.09 -30.98 62.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.827 1.194 . . . . 0.0 113.22 172.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.32 31.22 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.89 17.59 0.31 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.269 19.0 ptpt 43.67 45.14 5.76 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.715 2.006 . . . . 0.0 114.623 176.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.91 11.09 0.03 OUTLIER Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.797 1.665 . . . . 0.0 116.565 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.71 130.88 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.027 1.731 . . . . 0.0 108.662 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -101.77 -19.49 15.33 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.79 120.96 2.06 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.692 1.197 . . . . 0.0 110.859 -174.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 81.3 m -112.54 131.16 55.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.082 1.353 . . . . 0.0 112.276 168.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -148.17 168.94 21.15 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.407 1.483 . . . . 0.0 110.35 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 53.5 mt -147.18 135.82 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 125.393 1.477 . . . . 0.0 110.102 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.4 m -94.44 108.91 20.82 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.27 -39.75 53.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -162.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.14 -41.5 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.8 0.84 . . . . 0.0 110.943 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.04 -5.7 57.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.394 1.478 . . . . 0.0 114.246 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.3 36.39 3.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.142 1.777 . . . . 0.0 113.46 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -134.98 137.48 43.08 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.674 1.19 . . . . 0.0 111.578 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 79.2 m -102.9 139.46 38.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.976 1.31 . . . . 0.0 111.294 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -112.14 96.57 6.11 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.104 2.162 . . . . 0.0 106.658 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -124.55 129.84 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 0.0 111.434 -175.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -120.3 133.48 55.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 109.421 -172.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -150.65 134.09 16.37 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 123.311 1.529 . . . . 0.0 110.349 -160.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -70.71 159.71 33.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.597 165.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -6.5 4.98 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.292 1.437 . . . . 0.0 114.348 -172.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.52 -29.79 59.51 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.381 1.872 . . . . 0.0 112.389 163.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.64 159.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.966 2.107 . . . . 0.0 108.363 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.9 p -132.49 150.51 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.033 1.333 . . . . 0.0 110.884 173.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.13 69.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.139 0.576 . . . . 0.0 111.743 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.75 -23.54 64.34 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -75.49 -42.76 52.07 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.714 -0.616 . . . . 0.0 110.771 168.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.06 -43.37 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.787 -0.571 . . . . 0.0 109.7 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.91 -0.74 0.52 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 127.373 2.269 . . . . 0.0 115.093 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -119.47 -46.15 2.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.625 1.97 . . . . 0.0 109.302 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -55.02 -45.04 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.86 1.664 . . . . 0.0 112.406 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.63 -23.43 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.161 0.984 . . . . 0.0 111.977 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.61 -28.73 26.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.203 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -20.55 59.97 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 167.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.87 -11.82 60.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 113.082 163.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.7 29.68 25.96 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 118.414 -1.215 . . . . 0.0 115.547 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -116.52 -161.28 0.79 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.538 1.669 . . . . 0.0 110.651 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.44 144.76 20.99 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.283 2.233 . . . . 0.0 108.471 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.4 p -148.07 167.9 23.76 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -167.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.56 131.91 20.79 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.515 1.926 . . . . 0.0 106.405 163.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mm -72.0 108.15 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.73 -45.89 13.85 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -161.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -164.13 144.05 7.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.808 1.643 . . . . 0.0 111.896 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.29 30.89 0.1 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.306 2.242 . . . . 0.0 112.677 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 126.23 1.812 . . . . 0.0 114.446 -171.9 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 110.739 -0.097 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.11 33.26 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -90.3 166.79 13.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.751 0.82 . . . . 0.0 112.093 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.258 61.1 mt 45.27 95.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 129.513 3.125 . . . . 0.0 114.954 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -82.93 154.22 24.67 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.577 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -106.4 127.61 53.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.382 1.073 . . . . 0.0 109.729 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.66 147.73 46.1 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.986 1.314 . . . . 0.0 109.996 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -142.98 137.9 29.68 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.478 0.711 . . . . 0.0 109.737 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.34 138.71 41.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.305 1.442 . . . . 0.0 110.531 -172.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -97.87 112.0 24.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.256 1.023 . . . . 0.0 108.798 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.41 135.94 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.535 1.534 . . . . 0.0 108.705 -163.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.85 112.72 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.6 mtm -134.72 78.73 1.76 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.68 1.192 . . . . 0.0 109.819 -175.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.451 1.5 . . . . 0.0 112.614 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.7 -158.61 0.68 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.526 2.331 . . . . 0.0 112.816 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -121.72 -22.77 5.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.406 -1.434 . . . . 0.0 114.837 -165.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.53 -12.84 64.15 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.7 1.143 . . . . 0.0 113.828 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.3 -50.48 67.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.327 1.851 . . . . 0.0 112.186 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p -59.54 -39.62 84.54 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.002 0.921 . . . . 0.0 112.018 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.03 91.59 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.464 -0.631 . . . . 0.0 112.085 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 -53.9 14.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.817 1.247 . . . . 0.0 112.431 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.23 -38.21 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 118.767 0.712 . . . . 0.0 111.266 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.31 -44.64 95.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.525 0.73 . . . . 0.0 111.428 171.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.77 -44.47 96.09 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.069 -1.019 . . . . 0.0 112.717 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.76 -38.98 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 119.58 1.082 . . . . 0.0 111.587 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.86 -30.87 61.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.5 m -67.7 -12.74 61.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.852 1.261 . . . . 0.0 112.82 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -50.92 -20.88 1.47 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.7 1.2 . . . . 0.0 113.327 161.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 mt -116.92 25.38 10.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.502 1.921 . . . . 0.0 113.449 -169.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -50.14 -32.05 5.31 Favored Pre-proline 0 N--CA 1.479 0.999 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.61 -14.05 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 CA-C-N 121.93 1.725 . . . . 0.0 114.544 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -126.45 -27.44 3.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.922 1.289 . . . . 0.0 113.895 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -90.86 121.47 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.117 1.767 . . . . 0.0 110.004 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -79.25 -45.97 18.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.56 1.144 . . . . 0.0 112.135 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -158.15 147.61 19.63 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.205 1.402 . . . . 0.0 112.207 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -121.64 143.09 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.609 1.964 . . . . 0.0 107.88 164.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -142.29 134.46 27.54 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.229 1.012 . . . . 0.0 112.185 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mm -105.5 133.62 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.178 1.391 . . . . 0.0 112.56 -170.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -124.83 73.04 1.25 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.403 1.881 . . . . 0.0 109.633 171.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.66 -45.02 90.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.975 1.71 . . . . 0.0 114.632 -164.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -72.14 -26.61 62.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.896 0.878 . . . . 0.0 111.988 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -92.81 6.01 49.15 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.933 1.693 . . . . 0.0 112.941 167.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 60.66 21.58 11.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.827 2.451 . . . . 0.0 114.717 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.31 144.73 28.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.019 1.328 . . . . 0.0 112.622 -172.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -127.85 132.76 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.329 1.852 . . . . 0.0 108.755 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.7 140.9 44.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.729 1.611 . . . . 0.0 110.579 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.7 t -135.03 144.53 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.08 1.352 . . . . 0.0 110.154 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.72 117.81 22.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.105 1.762 . . . . 0.0 110.084 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.0 154.83 13.3 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.065 -1.022 . . . . 0.0 112.993 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 m -89.08 2.9 53.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.591 1.957 . . . . 0.0 112.009 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.35 167.24 37.71 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.009 1.724 . . . . 0.0 113.46 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.12 145.66 85.16 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.576 2.85 . . . . 0.0 111.944 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.58 -45.9 90.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.764 0.826 . . . . 0.0 112.518 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.71 -35.78 75.22 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.516 1.126 . . . . 0.0 112.784 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.12 -31.49 72.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 122.122 -0.361 . . . . 0.0 111.354 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.97 -39.94 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.064 -1.022 . . . . 0.0 111.295 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.1 mt -58.23 -45.87 86.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.254 0.934 . . . . 0.0 111.406 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.99 -38.63 89.33 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.488 1.515 . . . . 0.0 113.142 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.52 -37.7 71.16 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.715 0.689 . . . . 0.0 112.34 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.87 -53.35 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.621 0.768 . . . . 0.0 110.056 171.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -59.45 -34.35 72.41 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.591 -0.693 . . . . 0.0 112.661 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -59.71 -24.08 63.69 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.1 p -66.0 -38.29 88.1 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.4 1.455 . . . . 0.0 112.74 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -6.45 77.79 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.535 1.064 . . . . 0.0 113.791 -171.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -73.65 152.24 40.55 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.363 1.082 . . . . 0.0 110.028 165.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.98 147.66 23.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.813 0.845 . . . . 0.0 112.096 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.55 129.17 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.323 1.449 . . . . 0.0 110.776 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.43 -48.7 8.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.024 1.329 . . . . 0.0 112.34 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -166.45 162.81 17.15 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.482 1.113 . . . . 0.0 111.127 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.71 167.97 26.5 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 124.061 0.839 . . . . 0.0 113.752 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -145.05 155.21 43.22 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.6 114.99 29.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.212 2.205 . . . . 0.0 106.837 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.446 -167.66 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.101 0.477 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 49.4 ttt180 -117.22 -175.75 2.86 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 127.732 2.413 . . . . 0.0 108.268 164.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 2' ' ' ARG . 61.8 mm-40 -140.35 156.63 46.35 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.765 3.226 . . . . 0.0 111.172 -167.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.59 138.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.67 2.388 . . . . 0.0 110.008 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 122.25 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.321 1.048 . . . . 0.0 109.253 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.61 146.86 35.4 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.631 1.572 . . . . 0.0 110.141 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.13 151.04 25.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.441 158.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -133.38 104.41 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.79 1.636 . . . . 0.0 107.956 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.78 -17.04 32.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.041 1.336 . . . . 0.0 112.741 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 -4.1 73.32 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.989 1.28 . . . . 0.0 115.273 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.5 ptp -86.5 161.55 18.52 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.66 1.23 . . . . 0.0 112.474 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -162.78 -43.81 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.196 1.399 . . . . 0.0 113.21 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.51 -90.6 0.09 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.044 1.338 . . . . 0.0 114.401 -163.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 13.1 p -165.51 -81.97 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.068 1.347 . . . . 0.0 112.475 -168.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -14.53 63.06 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.806 1.242 . . . . 0.0 114.238 -167.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.7 m -55.68 -29.42 59.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.27 1.428 . . . . 0.0 114.621 163.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.1 p -64.57 -50.38 67.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 119.397 0.999 . . . . 0.0 110.875 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -28.25 69.04 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 118.089 -0.957 . . . . 0.0 111.754 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.4 m -55.16 -34.54 63.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.273 0.942 . . . . 0.0 110.896 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.84 -49.75 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.621 1.1 . . . . 0.0 110.693 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -65.18 -49.27 70.42 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.973 1.261 . . . . 0.0 112.067 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.6 m -50.43 -33.2 20.06 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.39 1.076 . . . . 0.0 113.5 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -86.84 -49.67 7.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.972 1.26 . . . . 0.0 113.994 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.64 -37.81 82.95 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.287 0.949 . . . . 0.0 111.558 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -55.39 -27.09 45.36 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.661 1.118 . . . . 0.0 113.183 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.41 -0.24 55.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.726 1.61 . . . . 0.0 114.551 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -81.43 98.84 8.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 158.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.26 111.95 1.23 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.982 -0.449 . . . . 0.0 110.133 -173.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.3 -18.02 8.38 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.29 1.424 . . . . 0.0 114.775 -169.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.34 124.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.613 2.206 . . . . 0.0 108.862 166.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -40.21 9.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.003 1.321 . . . . 0.0 111.304 -169.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -163.81 134.41 4.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.564 1.146 . . . . 0.0 111.576 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.46 118.08 33.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.44 1.496 . . . . 0.0 111.348 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -110.1 148.33 31.94 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.309 1.844 . . . . 0.0 110.236 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -145.67 142.78 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.266 1.826 . . . . 0.0 109.973 -167.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 118.66 21.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.708 1.203 . . . . 0.0 110.448 163.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -78.02 -38.09 45.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.598 1.959 . . . . 0.0 111.336 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.22 -32.78 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.0 0.818 . . . . 0.0 112.08 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -106.86 -4.81 18.82 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.462 1.905 . . . . 0.0 113.598 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 68.57 39.93 2.0 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.444 1.897 . . . . 0.0 113.345 170.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -139.51 164.87 28.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.863 1.665 . . . . 0.0 112.676 -170.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -153.44 148.07 26.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.905 0.882 . . . . 0.0 113.045 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -121.22 109.83 15.43 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.037 1.735 . . . . 0.0 107.968 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.53 128.64 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.556 1.542 . . . . 0.0 110.435 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 53.6 m -109.55 132.92 53.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.477 1.911 . . . . 0.0 106.606 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.22 127.14 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 123.665 1.698 . . . . 0.0 113.261 -163.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -68.31 163.99 21.74 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.728 2.411 . . . . 0.0 113.397 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.16 -4.18 9.57 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -169.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.77 -10.27 59.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.511 1.524 . . . . 0.0 113.226 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.4 155.18 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.737 2.015 . . . . 0.0 109.968 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.6 p -124.22 154.5 40.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.004 1.322 . . . . 0.0 112.388 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.78 67.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.38 -18.48 55.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.137 0.88 . . . . 0.0 112.724 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -72.03 -50.49 28.04 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.17 164.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.95 -51.55 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.845 0.858 . . . . 0.0 110.619 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.89 20.15 0.08 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -135.97 -37.27 0.73 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.328 1.851 . . . . 0.0 110.254 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mm -61.25 -42.92 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.543 1.137 . . . . 0.0 111.623 168.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.3 -24.59 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.045 0.839 . . . . 0.0 111.015 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -83.76 -32.41 25.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.17 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.21 -14.76 60.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.691 1.196 . . . . 0.0 112.961 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -74.12 -11.91 60.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.99 0.916 . . . . 0.0 112.445 161.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 11.07 59.82 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.714 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.16 -152.24 0.28 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.99 1.395 . . . . 0.0 110.657 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.95 149.43 28.21 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 127.207 2.203 . . . . 0.0 105.665 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -156.58 176.91 12.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.533 0.682 . . . . 0.0 112.74 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -163.3 140.52 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.641 1.176 . . . . 0.0 108.455 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 99.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.1 -48.32 11.51 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.737 1.215 . . . . 0.0 108.443 -165.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -152.56 166.58 31.61 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.661 1.585 . . . . 0.0 110.113 165.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -77.41 6.69 6.47 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 126.864 2.066 . . . . 0.0 115.496 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.253 1.285 0 C-N-CA 131.537 3.935 . . . . 0.0 113.273 -179.578 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.05 25.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.341 1.456 . . . . 0.0 111.887 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.39 129.36 41.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.351 1.461 . . . . 0.0 110.931 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.71 120.61 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -91.68 162.67 14.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.279 1.832 . . . . 0.0 110.856 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.38 131.71 45.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.628 1.571 . . . . 0.0 110.441 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -136.48 155.63 49.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.052 1.341 . . . . 0.0 112.137 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -131.11 155.51 46.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.637 1.175 . . . . 0.0 110.554 164.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 148.39 48.37 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.812 2.045 . . . . 0.0 109.24 170.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -111.77 127.79 55.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.377 166.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.72 147.23 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.825 1.65 . . . . 0.0 109.208 -165.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -72.05 85.93 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.33 0.652 . . . . 0.0 109.276 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.6 tpp -92.96 112.23 24.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.101 1.36 . . . . 0.0 109.925 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 p -96.65 -24.17 16.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -176.72 167.74 2.6 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.121 1.769 . . . . 0.0 112.59 -162.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.59 -25.18 62.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.641 1.176 . . . . 0.0 113.312 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.71 -26.04 68.28 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.095 0.855 . . . . 0.0 113.512 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -68.23 -57.43 6.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.668 1.187 . . . . 0.0 109.37 168.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -52.05 -42.64 63.3 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.703 1.201 . . . . 0.0 112.407 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.03 68.87 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-O 118.909 -0.939 . . . . 0.0 113.273 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.36 65.99 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.019 0.91 . . . . 0.0 111.066 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.59 -51.09 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.616 0.767 . . . . 0.0 110.294 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.27 -44.7 84.18 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.72 -0.613 . . . . 0.0 112.171 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -66.42 -26.63 67.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.87 -41.81 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 120.846 -1.159 . . . . 0.0 111.457 168.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.04 -27.91 43.18 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -61.53 -18.02 57.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 121.012 1.733 . . . . 0.0 113.619 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -61.05 -17.7 53.82 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.843 1.257 . . . . 0.0 113.869 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.34 13.42 14.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.257 1.423 . . . . 0.0 114.075 -168.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.59 -24.39 1.42 Allowed Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -62.96 -21.0 72.92 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 CA-C-N 121.968 1.739 . . . . 0.0 114.009 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -119.98 -32.78 4.12 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.877 1.671 . . . . 0.0 113.179 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -87.32 121.16 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.81 1.644 . . . . 0.0 109.333 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.7 p -102.46 -22.48 14.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -153.16 143.79 22.68 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.63 1.172 . . . . 0.0 112.016 170.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.41 149.04 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.664 1.985 . . . . 0.0 108.31 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -150.84 117.0 5.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.464 1.106 . . . . 0.0 111.375 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.58 130.15 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.533 1.133 . . . . 0.0 110.958 -170.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -109.09 157.76 18.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.001 0.92 . . . . 0.0 111.769 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -106.86 -58.26 1.96 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.066 0.946 . . . . 0.0 109.473 173.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.68 -39.37 80.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.095 1.358 . . . . 0.0 112.371 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -91.47 1.01 57.43 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.22 4.04 0.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.733 2.413 . . . . 0.0 115.465 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.277 0.8 OUTLIER -102.21 150.36 23.37 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -121.07 134.67 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 127.938 2.495 . . . . 0.0 107.687 173.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.14 130.98 53.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.203 1.801 . . . . 0.0 110.028 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.46 142.92 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.725 0.81 . . . . 0.0 112.099 -168.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -122.01 130.85 53.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.374 1.869 . . . . 0.0 111.222 162.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.5 t -166.25 153.48 9.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 111.806 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 p -74.14 -10.54 59.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.233 1.813 . . . . 0.0 113.475 169.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.98 152.36 79.67 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.655 1.182 . . . . 0.0 113.768 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.53 153.15 60.44 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.716 2.944 . . . . 0.0 111.727 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.76 -39.24 76.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -169.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.17 -38.59 80.14 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.365 1.066 . . . . 0.0 113.266 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.0 -41.56 83.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.074 0.55 . . . . 0.0 111.421 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mm -70.33 -40.95 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.503 0.721 . . . . 0.0 110.932 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.24 -47.61 78.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.112 0.565 . . . . 0.0 110.665 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -71.66 -23.15 61.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.16 -53.46 37.29 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.804 1.184 . . . . 0.0 110.757 161.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.66 -39.08 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.389 0.995 . . . . 0.0 112.305 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -69.17 -25.95 64.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.469 1.108 . . . . 0.0 112.136 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -79.33 -25.51 42.31 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.972 -1.08 . . . . 0.0 113.907 167.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.8 m -73.39 -29.69 62.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.172 1.789 . . . . 0.0 114.312 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.44 -7.94 63.17 Favored Glycine 0 N--CA 1.476 1.347 0 N-CA-C 117.126 1.611 . . . . 0.0 117.126 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 149.65 27.14 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.18 1.49 . . . . 0.0 110.491 167.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.95 138.11 31.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.386 0.613 . . . . 0.0 111.638 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.03 144.07 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.921 2.088 . . . . 0.0 109.667 -170.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -115.29 -38.53 3.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.903 1.281 . . . . 0.0 114.138 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -169.32 -177.21 2.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.544 1.138 . . . . 0.0 111.279 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.34 158.52 13.34 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.136 1.351 . . . . 0.0 113.188 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.54 159.33 39.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.23 145.57 24.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.067 1.347 . . . . 0.0 109.989 163.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.254 1.299 0 C-N-CA 124.697 1.199 . . . . 0.0 113.266 -178.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 121.052 0.453 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -94.07 94.72 8.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.04 2.136 . . . . 0.0 110.416 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.56 132.04 52.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.769 1.228 . . . . 0.0 109.812 164.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.63 151.51 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.8 1.64 . . . . 0.0 110.559 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.98 130.74 66.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.2 1.0 . . . . 0.0 109.231 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.34 145.48 46.13 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.208 1.403 . . . . 0.0 110.076 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.49 140.13 31.69 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.035 163.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.8 t -124.59 118.58 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 126.054 1.742 . . . . 0.0 108.431 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -84.77 28.81 0.65 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.92 1.688 . . . . 0.0 114.156 -166.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.09 29.37 0.36 Allowed Glycine 0 N--CA 1.475 1.247 0 O-C-N 120.74 -1.225 . . . . 0.0 116.017 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mmm -77.13 83.84 3.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.881 1.272 . . . . 0.0 112.24 -171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -80.89 -61.47 1.95 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.762 1.625 . . . . 0.0 113.723 -171.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -153.93 -178.74 7.27 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.915 1.286 . . . . 0.0 112.376 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 60.5 m -69.17 -41.26 77.45 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.63 -1.294 . . . . 0.0 112.499 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.19 68.56 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.599 0.76 . . . . 0.0 112.505 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.6 m -71.26 -45.4 63.26 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.362 1.065 . . . . 0.0 113.342 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.4 p -95.29 -34.73 12.07 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 116.288 -1.815 . . . . 0.0 115.582 -157.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -18.38 64.44 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.547 2.43 . . . . 0.0 112.275 174.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -50.04 -38.06 36.03 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.579 1.152 . . . . 0.0 111.616 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.45 -50.69 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -48.72 80.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.343 -0.836 . . . . 0.0 112.291 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.5 m -54.5 -33.88 60.67 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 120.156 1.343 . . . . 0.0 113.53 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -89.02 -36.3 15.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.28 -42.13 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.408 1.003 . . . . 0.0 111.651 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.15 -19.96 36.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.688 0.795 . . . . 0.0 112.658 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.5 -12.77 60.03 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.74 123.86 28.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.483 1.038 . . . . 0.0 110.965 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.43 103.37 1.02 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.352 1.461 . . . . 0.0 110.49 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.56 -2.65 18.05 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.619 1.581 . . . . 0.0 115.992 -173.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.03 136.56 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 120.236 2.018 . . . . 0.0 109.481 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -103.24 -35.58 8.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 0.0 112.403 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -157.48 138.59 13.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.788 1.635 . . . . 0.0 110.635 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 p -137.25 146.17 44.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.358 1.463 . . . . 0.0 111.283 172.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -168.66 -179.46 3.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.211 1.404 . . . . 0.0 112.503 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.36 167.03 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 126.522 1.929 . . . . 0.0 112.95 -173.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 71.6 m -153.38 124.26 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.124 1.37 . . . . 0.0 111.033 171.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.53 -39.15 67.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.1 1.36 . . . . 0.0 114.033 -172.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -69.63 -27.34 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.593 1.088 . . . . 0.0 112.687 -168.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -111.15 5.78 20.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.853 1.661 . . . . 0.0 112.693 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 62.37 38.81 12.75 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.868 1.667 . . . . 0.0 112.987 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.41 157.06 30.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -166.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 t -114.07 135.01 54.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.964 2.106 . . . . 0.0 109.327 167.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -118.09 110.6 17.83 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.62 1.968 . . . . 0.0 105.939 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.72 144.21 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.744 0.818 . . . . 0.0 112.712 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -136.16 138.12 41.64 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.32 1.848 . . . . 0.0 107.495 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -156.47 145.46 20.32 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.92 1.819 . . . . 0.0 111.059 -167.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.55 165.66 21.89 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.963 2.505 . . . . 0.0 113.556 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -60.35 -9.46 3.56 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.21 2.04 48.52 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.886 1.274 . . . . 0.0 113.113 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.86 161.71 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.987 2.115 . . . . 0.0 109.832 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -146.34 146.94 30.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.736 1.614 . . . . 0.0 111.745 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.05 -25.67 65.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.659 1.184 . . . . 0.0 113.614 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.43 -20.82 62.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.235 1.014 . . . . 0.0 112.882 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -72.94 -42.87 62.98 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.62 -0.675 . . . . 0.0 110.698 165.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.8 -36.99 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.228 -0.92 . . . . 0.0 110.497 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -58.87 -15.67 13.72 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -99.79 -41.72 7.14 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.067 1.747 . . . . 0.0 109.192 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 mm -58.86 -47.05 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.409 1.484 . . . . 0.0 112.732 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.33 -26.85 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 118.912 0.778 . . . . 0.0 110.714 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.22 -32.28 55.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.023 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.24 -31.81 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.769 1.168 . . . . 0.0 112.716 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.8 m -70.79 -13.91 62.23 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.964 1.306 . . . . 0.0 113.68 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.98 26.3 19.66 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.19 0.9 . . . . 0.0 114.539 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -127.72 -154.98 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.374 1.47 . . . . 0.0 108.967 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -163.64 148.71 10.88 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.831 1.652 . . . . 0.0 108.427 173.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.8 p -138.95 165.99 25.65 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -137.63 139.26 40.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.643 1.977 . . . . 0.0 107.783 168.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 13.4 tt -72.97 111.74 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.45 -35.27 19.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.188 0.995 . . . . 0.0 109.2 -164.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -170.62 162.99 8.12 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.99 1.716 . . . . 0.0 111.378 167.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.61 27.66 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.259 2.624 . . . . 0.0 114.146 168.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . 0.253 54.2 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 129.556 3.142 . . . . 0.0 114.489 -172.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.33 165.13 25.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.114 1.365 . . . . 0.0 113.733 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.52 165.47 14.27 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.846 1.658 . . . . 0.0 112.087 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.5 mt 63.28 135.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 129.638 3.175 . . . . 0.0 114.935 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.8 162.86 15.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 111.4 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -150.34 133.61 16.32 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.499 -1.376 . . . . 0.0 113.569 -169.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -145.7 158.14 43.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.915 1.286 . . . . 0.0 112.975 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -128.73 130.02 46.53 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.514 1.526 . . . . 0.0 110.66 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -121.91 140.61 52.21 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.106 1.362 . . . . 0.0 111.56 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -91.42 129.86 37.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.939 1.296 . . . . 0.0 111.339 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 t -118.35 141.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.043 1.737 . . . . 0.0 109.997 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.19 110.47 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.201 1.401 . . . . 0.0 107.696 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.4 mmt -79.79 127.93 32.82 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.136 0.575 . . . . 0.0 110.385 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -129.98 -84.73 0.54 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.524 2.33 . . . . 0.0 107.15 -171.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.95 -170.93 2.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.377 1.871 . . . . 0.0 112.518 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 m -70.97 -8.29 52.16 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 166.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.91 -50.73 4.79 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 125.592 1.568 . . . . 0.0 112.749 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -61.21 -40.56 94.44 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.8 1.3 . . . . 0.0 112.496 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -68.33 -25.39 65.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.68 0.792 . . . . 0.0 113.131 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -43.45 56.34 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 121.273 -0.892 . . . . 0.0 111.707 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.57 66.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.57 1.148 . . . . 0.0 112.657 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 p -62.08 -40.24 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.721 0.691 . . . . 0.0 111.73 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.18 -40.41 81.42 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.526 -0.734 . . . . 0.0 111.397 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.83 -34.85 77.53 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.506 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.72 -48.93 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 119.799 1.181 . . . . 0.0 111.05 172.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.57 -24.32 49.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.698 0.799 . . . . 0.0 113.11 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 m -74.1 -10.75 59.93 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.44 1.496 . . . . 0.0 112.535 173.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -70.41 -18.59 63.02 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.626 -1.296 . . . . 0.0 113.042 167.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 mt -114.4 30.77 7.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.57 1.548 . . . . 0.0 113.236 -164.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -53.25 -42.84 93.33 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 -164.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.86 -6.51 18.22 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 CA-C-N 122.205 1.823 . . . . 0.0 112.718 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -117.51 -26.34 6.67 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.371 1.068 . . . . 0.0 112.87 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -109.11 113.61 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.391 1.877 . . . . 0.0 108.832 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -88.87 -29.3 19.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 37' ' ' ASP . 44.5 tptt -154.03 140.5 18.77 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.262 1.025 . . . . 0.0 113.132 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -129.81 141.6 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 127.173 2.189 . . . . 0.0 107.756 172.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -152.91 142.96 22.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.196 0.998 . . . . 0.0 110.336 165.282 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -112.61 145.35 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.143 1.377 . . . . 0.0 110.859 -173.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m -129.85 86.58 2.42 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.372 1.469 . . . . 0.0 111.112 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.77 -45.35 78.15 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -68.89 -42.73 76.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.422 1.01 . . . . 0.0 111.818 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.45 -15.62 62.34 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.169 1.388 . . . . 0.0 113.271 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 70.63 22.9 4.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.616 2.366 . . . . 0.0 112.799 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.3 mt -112.53 161.32 16.89 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.619 1.568 . . . . 0.0 113.814 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.21 137.25 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.154 2.182 . . . . 0.0 108.56 165.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -103.25 133.05 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.929 1.692 . . . . 0.0 109.815 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.14 138.59 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.473 1.109 . . . . 0.0 110.653 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.16 136.75 52.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.039 1.736 . . . . 0.0 110.913 169.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -171.52 156.86 4.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.942 0.897 . . . . 0.0 112.037 -166.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.9 p -86.67 -7.79 58.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.474 1.51 . . . . 0.0 113.052 168.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.29 147.05 78.92 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.842 1.257 . . . . 0.0 111.657 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.82 155.02 30.55 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.299 2.666 . . . . 0.0 111.868 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.15 -40.08 92.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.444 0.698 . . . . 0.0 112.584 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.03 -10.81 24.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.729 1.611 . . . . 0.0 113.993 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.27 -43.44 6.6 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.511 1.124 . . . . 0.0 111.703 167.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.48 -35.71 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -51.45 -52.5 45.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.082 1.353 . . . . 0.0 111.604 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -74.03 -11.59 60.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.767 1.627 . . . . 0.0 114.154 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -85.37 -44.26 12.95 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.21 1.004 . . . . 0.0 112.805 162.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 tt -80.26 -38.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.375 0.988 . . . . 0.0 113.396 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.92 -26.98 65.36 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.113 1.324 . . . . 0.0 112.461 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -61.21 -3.79 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 p -54.82 -60.68 3.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.621 1.568 . . . . 0.0 112.229 164.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.96 6.74 55.9 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 124.636 1.112 . . . . 0.0 115.876 -176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -162.87 152.04 15.09 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.691 1.246 . . . . 0.0 113.196 167.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.316 81.8 mt-10 71.46 17.63 5.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 152.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 t -112.52 134.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.067 1.347 . . . . 0.0 108.598 161.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -102.57 -45.04 5.16 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -173.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -172.56 169.28 5.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.389 1.075 . . . . 0.0 111.176 -167.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.47 179.23 28.28 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 124.296 0.951 . . . . 0.0 114.023 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -176.54 165.03 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.403 1.881 . . . . 0.0 113.616 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -92.21 133.53 35.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.81 1.244 . . . . 0.0 110.023 161.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.675 1.59 . . . . 0.0 113.324 -176.44 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.55 98.91 1.54 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 126.24 1.816 . . . . 0.0 110.729 -177.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.39 166.38 16.82 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.597 2.359 . . . . 0.0 112.666 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.2 p -177.03 141.63 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 127.939 2.496 . . . . 0.0 110.233 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -116.47 136.16 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 164.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.407 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 4.5 pp -133.58 142.94 48.38 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.668 0.787 . . . . 0.0 110.83 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.47 144.07 26.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.124 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.23 113.87 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 125.486 1.514 . . . . 0.0 107.803 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -78.57 -19.78 52.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.692 -0.63 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.37 -1.62 55.64 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.319 1.287 . . . . 0.0 116.319 -173.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 6.7 ptp -72.36 138.53 47.32 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.901 1.85 . . . . 0.0 112.054 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -174.71 -176.94 1.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 128.97 2.908 . . . . 0.0 108.055 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 69.29 -163.73 0.18 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.771 2.428 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -127.45 -2.16 6.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.962 2.105 . . . . 0.0 112.547 163.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.85 -39.41 5.57 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.293 1.837 . . . . 0.0 112.039 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -67.45 -33.07 74.38 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.373 1.069 . . . . 0.0 113.649 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -57.55 -45.94 84.5 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 126.234 1.814 . . . . 0.0 112.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.85 60.19 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -53.7 -33.31 55.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.271 1.028 . . . . 0.0 110.849 168.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.2 -53.31 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.866 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -55.87 -50.8 69.64 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.606 1.094 . . . . 0.0 112.843 172.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -46.21 -48.94 17.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.809 1.243 . . . . 0.0 111.64 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.83 -45.63 14.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.973 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.22 -41.48 98.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.578 1.536 . . . . 0.0 111.832 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -70.36 -1.57 10.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.03 -6.71 22.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.205 1.402 . . . . 0.0 114.334 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -81.72 3.99 23.54 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 45.98 30.81 0.97 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.888 2.475 . . . . 0.0 115.374 176.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.66 -12.66 0.16 Allowed Glycine 0 CA--C 1.541 1.665 0 C-N-CA 126.705 2.098 . . . . 0.0 117.192 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.69 143.48 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 127.12 2.168 . . . . 0.0 110.329 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -109.24 -31.39 7.59 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.654 1.182 . . . . 0.0 113.311 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -135.04 142.35 46.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.66 1.584 . . . . 0.0 111.176 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 p -160.75 119.15 2.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.814 1.246 . . . . 0.0 113.266 170.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -150.43 -174.53 4.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.169 2.188 . . . . 0.0 110.456 171.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 pt -146.17 163.24 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.509 1.924 . . . . 0.0 113.649 -164.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.3 t -134.15 121.86 22.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.818 1.247 . . . . 0.0 109.353 162.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.55 -32.32 60.38 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.556 1.143 . . . . 0.0 113.351 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.72 -38.02 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 119.846 1.203 . . . . 0.0 111.783 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.0 p -99.88 0.31 41.08 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.68 1.592 . . . . 0.0 113.0 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.423 0.2 OUTLIER 40.09 50.49 2.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.956 2.502 . . . . 0.0 115.831 -170.569 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.59 156.05 22.39 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.535 1.534 . . . . 0.0 112.978 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 60.4 m -112.59 135.78 52.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.4 1.48 . . . . 0.0 110.576 164.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -107.32 104.2 13.74 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.855 2.062 . . . . 0.0 105.996 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.02 147.74 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.571 1.548 . . . . 0.0 111.412 -169.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -151.06 135.83 17.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 109.201 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -154.45 -168.43 2.92 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.384 1.474 . . . . 0.0 110.662 -167.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.36 174.36 13.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.655 2.382 . . . . 0.0 112.496 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -56.9 -12.5 2.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.975 2.584 . . . . 0.0 117.975 -161.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.0 -7.27 33.92 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.049 1.339 . . . . 0.0 113.213 169.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 169.32 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.501 1.52 . . . . 0.0 110.612 166.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -142.26 149.5 39.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 111.641 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.31 51.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.929 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.88 -20.86 61.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.718 0.807 . . . . 0.0 113.022 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -81.68 -41.62 21.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.189 0.996 . . . . 0.0 110.512 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.47 -44.91 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 121.321 -0.862 . . . . 0.0 111.093 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -68.49 -5.55 20.05 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -97.26 -50.36 4.59 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 120.83 -1.169 . . . . 0.0 107.937 172.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 mm -54.2 -50.22 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.602 1.961 . . . . 0.0 113.617 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.31 -26.58 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 118.705 0.684 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -83.68 -24.65 31.21 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 172.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -77.46 -19.27 56.22 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.234 1.414 . . . . 0.0 113.278 170.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.49 -17.25 64.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 112.702 162.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.2 27.6 22.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.482 1.039 . . . . 0.0 113.996 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -107.62 -161.41 0.78 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.024 1.412 . . . . 0.0 110.363 168.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -162.27 141.7 9.51 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 127.477 2.311 . . . . 0.0 107.323 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.1 p -158.92 155.46 27.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -156.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.73 136.0 54.18 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.478 1.511 . . . . 0.0 108.305 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm -77.22 83.13 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.268 0.3 OUTLIER -66.48 -36.6 83.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.05 -155.383 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -171.27 132.93 0.82 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.002 2.521 . . . . 0.0 110.511 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.44 41.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 129.713 3.205 . . . . 0.0 114.64 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m . . . . . 0 N--CA 1.483 1.181 0 O-C-N 119.78 -1.825 . . . . 0.0 112.437 -177.727 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 119.564 -0.255 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.4 36.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.82 1.648 . . . . 0.0 114.944 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -98.28 -177.03 3.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.517 2.327 . . . . 0.0 110.38 169.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.64 140.74 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.993 1.717 . . . . 0.0 111.531 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -109.13 159.54 16.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.157 1.383 . . . . 0.0 112.491 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -113.49 135.61 53.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.37 1.468 . . . . 0.0 111.31 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -131.33 153.46 49.58 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.506 1.523 . . . . 0.0 110.339 173.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -139.66 121.13 15.08 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.661 0.743 . . . . 0.0 110.582 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -111.95 139.66 47.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.208 1.403 . . . . 0.0 110.286 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -94.16 131.84 39.31 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.676 1.19 . . . . 0.0 108.161 160.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -142.7 142.33 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.903 1.229 . . . . 0.0 110.797 -167.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.75 128.15 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.748 0.819 . . . . 0.0 110.649 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.8 mtm -140.88 128.38 21.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.544 1.137 . . . . 0.0 110.8 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.83 -43.26 20.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 113.608 -175.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.12 179.25 9.2 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.778 1.631 . . . . 0.0 113.267 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -60.02 -11.22 5.34 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.306 1.842 . . . . 0.0 115.846 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -30.83 11.47 Favored Glycine 0 N--CA 1.471 1.01 0 C-N-CA 124.745 1.164 . . . . 0.0 112.355 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.78 -46.86 73.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.711 1.205 . . . . 0.0 111.535 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p -58.25 -29.34 65.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.316 1.046 . . . . 0.0 112.949 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.61 -40.34 32.4 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.358 0.98 . . . . 0.0 112.915 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.33 92.11 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.215 1.008 . . . . 0.0 111.646 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 -49.62 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.168 0.587 . . . . 0.0 110.157 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -54.16 -42.8 70.02 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.765 0.711 . . . . 0.0 112.644 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -58.34 -36.05 72.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.158 0.983 . . . . 0.0 112.788 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.72 -50.02 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.953 0.797 . . . . 0.0 111.181 171.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.41 -31.9 70.83 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.4 m -50.44 -32.92 19.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.805 1.242 . . . . 0.0 113.209 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.2 -28.3 67.86 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.81 -4.5 30.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.135 1.374 . . . . 0.0 114.03 -171.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.93 -30.46 4.79 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.63 -25.1 57.75 Favored 'Trans proline' 0 C--N 1.354 0.824 0 CA-C-N 122.31 1.861 . . . . 0.0 114.541 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.17 -12.81 5.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -91.88 114.33 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.251 1.42 . . . . 0.0 108.593 164.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -81.73 -29.26 33.0 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -160.43 135.62 7.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.784 1.234 . . . . 0.0 111.897 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -136.74 154.5 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.861 1.664 . . . . 0.0 111.631 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -152.86 112.51 3.9 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.433 1.093 . . . . 0.0 111.808 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -97.18 127.04 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.753 2.021 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -124.34 108.2 11.95 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.949 1.3 . . . . 0.0 113.34 -173.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.86 131.87 35.97 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.95 0.9 . . . . 0.0 111.583 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 107.39 -46.4 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 131.535 3.934 . . . . 0.0 110.657 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -85.46 -7.51 58.88 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.371 -0.83 . . . . 0.0 112.926 168.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 59.43 25.44 14.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 128.578 2.751 . . . . 0.0 116.112 170.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -101.64 153.68 19.55 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.969 -174.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.57 119.64 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 127.004 2.122 . . . . 0.0 108.47 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 138.72 31.27 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.579 1.152 . . . . 0.0 109.713 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -135.75 139.12 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.397 1.079 . . . . 0.0 110.693 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -126.5 126.49 43.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.872 1.669 . . . . 0.0 110.116 166.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -168.61 164.03 12.28 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.006 0.923 . . . . 0.0 112.999 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.8 p -88.91 -14.69 36.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.755 1.622 . . . . 0.0 113.041 163.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.12 155.38 87.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.447 1.099 . . . . 0.0 112.819 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.4 146.93 86.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.351 2.701 . . . . 0.0 113.52 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.01 -47.5 82.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.462 0.705 . . . . 0.0 111.94 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.48 -27.2 69.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.77 1.228 . . . . 0.0 113.032 174.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.47 -48.75 59.74 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.414 -0.804 . . . . 0.0 110.502 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.764 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -52.22 -47.86 65.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.025 0.93 . . . . 0.0 111.976 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.35 -36.35 82.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.145 1.378 . . . . 0.0 114.125 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -72.3 -37.87 68.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.992 1.269 . . . . 0.0 112.153 175.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.34 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.996 0.918 . . . . 0.0 110.207 172.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -44.47 -49.4 9.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.215 1.406 . . . . 0.0 111.983 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.98 -12.83 54.41 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -74.48 -10.62 59.74 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.114 1.324 . . . . 0.0 114.208 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.44 -10.89 60.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.711 1.148 . . . . 0.0 113.751 -172.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -84.97 131.85 34.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.751 1.275 . . . . 0.0 109.383 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.76 141.53 34.69 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 111.854 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.2 124.61 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -82.39 -38.9 23.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.956 1.303 . . . . 0.0 110.945 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -172.4 132.82 0.62 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.567 1.147 . . . . 0.0 113.016 169.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.81 143.47 16.01 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 124.298 0.951 . . . . 0.0 113.739 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -125.63 149.4 48.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.535 1.134 . . . . 0.0 112.468 167.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -94.16 135.99 34.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.587 1.955 . . . . 0.0 108.395 158.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.917 1.687 . . . . 0.0 112.284 -176.663 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.53 130.21 17.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.711 1.204 . . . . 0.0 111.037 166.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.6 127.64 32.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.93 2.092 . . . . 0.0 110.684 165.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.75 137.36 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.074 1.75 . . . . 0.0 108.414 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mm -116.85 127.17 74.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.5 141.97 47.71 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.061 0.545 . . . . 0.0 110.028 176.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.04 126.03 37.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.64 107.75 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.953 1.301 . . . . 0.0 108.071 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -73.19 -15.73 61.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 112.83 -172.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.6 12.09 27.89 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.955 1.741 . . . . 0.0 116.056 -173.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 10.3 ptp -93.04 144.59 25.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.885 1.843 . . . . 0.0 111.858 172.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -173.89 -25.56 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.761 1.624 . . . . 0.0 113.472 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.97 152.1 38.79 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.718 1.207 . . . . 0.0 111.902 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 75.0 m -82.26 -12.67 57.92 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 -26.65 6.95 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.853 1.261 . . . . 0.0 114.079 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.96 -14.52 61.73 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -66.7 -55.79 13.54 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.154 1.381 . . . . 0.0 111.954 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -71.28 -3.31 19.75 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.023 0.829 . . . . 0.0 113.205 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -56.43 -40.19 74.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.011 0.924 . . . . 0.0 110.137 160.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.85 -50.39 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.97 -45.06 83.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 85.2 m -57.01 -26.59 60.51 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.021 1.329 . . . . 0.0 113.274 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.98 -49.12 6.96 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.484 1.038 . . . . 0.0 112.004 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.34 -46.32 90.32 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.121 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -55.58 -25.5 38.58 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.85 -1.49 56.71 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.649 1.58 . . . . 0.0 113.956 -176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.93 121.03 20.33 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.55 1.068 . . . . 0.0 110.122 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.37 104.12 0.16 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.167 0.987 . . . . 0.0 111.574 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.46 -28.29 3.82 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.77 1.653 . . . . 0.0 113.624 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.73 121.81 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.872 1.336 . . . . 0.0 110.273 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.4 p -93.62 -41.52 9.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.534 1.133 . . . . 0.0 111.058 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.1 151.1 46.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.805 1.642 . . . . 0.0 111.821 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 45.3 t -156.83 134.27 10.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.882 1.273 . . . . 0.0 110.125 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.48 176.0 12.14 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.357 1.863 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -151.03 136.66 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 125.91 1.684 . . . . 0.0 110.108 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 m -127.58 118.52 24.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.476 1.111 . . . . 0.0 111.47 170.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.43 -28.58 68.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.658 1.583 . . . . 0.0 114.112 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.28 -41.49 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 119.663 1.12 . . . . 0.0 112.023 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 p -108.81 -1.64 19.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.88 1.672 . . . . 0.0 113.393 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 65.12 37.46 6.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.886 2.074 . . . . 0.0 112.314 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.13 136.75 48.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.576 1.15 . . . . 0.0 113.158 -168.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.95 123.6 37.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.395 1.078 . . . . 0.0 109.698 165.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -106.35 79.33 1.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.627 1.971 . . . . 0.0 108.689 -171.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -109.0 145.17 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.137 0.975 . . . . 0.0 111.369 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -144.03 134.29 24.43 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.289 1.435 . . . . 0.0 108.193 -168.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -167.99 148.83 5.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 122.899 1.333 . . . . 0.0 112.107 -160.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.49 162.05 13.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.323 -1.762 . . . . 0.0 112.196 150.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.284 0.5 OUTLIER 108.7 160.09 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 131.528 3.931 . . . . 0.0 112.614 177.251 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.6 -24.85 15.16 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.798 2.439 . . . . 0.0 117.009 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 140.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 120.163 1.347 . . . . 0.0 114.34 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -94.81 148.35 22.39 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.738 1.615 . . . . 0.0 112.826 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.31 68.29 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 171.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.34 -31.95 70.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.132 1.373 . . . . 0.0 113.105 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -86.18 -39.74 16.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.297 1.039 . . . . 0.0 112.64 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.87 -40.48 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 118.797 0.726 . . . . 0.0 110.204 174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -46.38 -40.15 11.55 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.668 1.187 . . . . 0.0 113.885 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -74.34 -28.07 60.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.34 1.456 . . . . 0.0 110.645 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.87 -43.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.0 1.32 . . . . 0.0 110.61 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.54 -33.32 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.192 0.597 . . . . 0.0 110.03 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.32 -35.52 73.7 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.411 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.78 -18.6 64.22 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -73.19 -15.9 61.44 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.935 0.894 . . . . 0.0 112.592 166.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.25 13.25 29.2 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.653 1.597 . . . . 0.0 115.106 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -103.58 -153.47 0.48 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.195 1.497 . . . . 0.0 110.401 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -161.76 141.12 9.92 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.995 1.318 . . . . 0.0 109.038 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.3 p -172.13 169.91 5.39 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -159.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -165.86 158.57 15.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 129.135 2.974 . . . . 0.0 107.465 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.3 tt -51.84 134.11 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.841 0.829 . . . . 0.0 112.223 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -57.38 2.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.715 1.206 . . . . 0.0 107.912 171.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -176.34 164.71 2.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.516 2.327 . . . . 0.0 108.791 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -98.63 98.75 9.87 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.158 0.983 . . . . 0.0 111.136 167.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.611 1.964 . . . . 0.0 113.67 179.712 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 . . . . . 0 CA--C 1.54 0.585 0 CA-C-O 121.269 0.557 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -77.62 128.81 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.159 0.983 . . . . 0.0 111.237 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -108.14 156.1 19.68 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.718 1.607 . . . . 0.0 111.059 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.2 127.21 54.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.077 0.951 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.51 147.07 50.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.997 1.319 . . . . 0.0 111.114 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -140.09 124.65 18.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.518 0.727 . . . . 0.0 111.181 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -113.84 133.61 55.31 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.118 1.367 . . . . 0.0 110.074 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -95.89 120.99 37.15 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.701 1.2 . . . . 0.0 108.652 165.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.95 139.53 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.523 . . . . 0.0 109.159 -168.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.67 115.4 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.9 mtm -138.92 116.08 11.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.53 0.732 . . . . 0.0 112.092 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.4 m -83.92 -62.43 1.57 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.053 1.341 . . . . 0.0 111.897 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.58 160.05 15.6 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.6 p -64.3 -24.07 67.52 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 157.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.62 -2.62 60.84 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.905 1.24 . . . . 0.0 114.704 167.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -90.04 -53.93 4.26 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.671 1.235 . . . . 0.0 110.455 168.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 p -60.45 -36.97 79.51 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.175 -0.953 . . . . 0.0 112.288 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.28 75.02 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 121.346 -0.846 . . . . 0.0 114.33 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.31 -48.09 14.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.555 1.177 . . . . 0.0 110.736 169.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.83 -48.41 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.894 0.878 . . . . 0.0 110.736 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -56.26 -43.92 79.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.999 0.92 . . . . 0.0 112.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -64.83 -38.22 90.26 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.845 -1.16 . . . . 0.0 113.166 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.16 -47.83 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.612 1.096 . . . . 0.0 111.481 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.85 -24.86 61.77 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -53.55 -35.03 60.31 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.87 1.268 . . . . 0.0 112.224 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.1 -16.13 29.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.855 1.262 . . . . 0.0 113.487 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.32 -3.0 17.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.5 1.52 . . . . 0.0 113.912 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.2 -27.53 2.14 Favored Pre-proline 0 N--CA 1.475 0.812 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.93 -24.05 46.04 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 121.931 1.725 . . . . 0.0 113.809 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -126.5 -16.07 5.44 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.115 1.366 . . . . 0.0 114.175 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.09 127.82 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.678 1.591 . . . . 0.0 109.626 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.38 -28.4 14.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.74 139.5 23.99 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.267 -0.896 . . . . 0.0 112.007 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.48 128.91 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.766 2.026 . . . . 0.0 107.913 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.98 123.49 9.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.026 0.931 . . . . 0.0 111.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -111.43 141.28 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.402 1.081 . . . . 0.0 110.145 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -125.79 94.15 4.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.911 1.284 . . . . 0.0 109.726 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.1 -44.3 96.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.526 0.73 . . . . 0.0 112.612 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.01 -50.21 74.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.33 -5.83 25.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.852 0.861 . . . . 0.0 112.881 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 56.12 24.73 8.24 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.198 2.599 . . . . 0.0 113.99 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.348 4.5 pp -121.12 159.59 25.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.38 124.68 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 127.47 2.308 . . . . 0.0 107.893 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -100.18 132.97 45.25 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.223 1.409 . . . . 0.0 110.493 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -130.13 139.58 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.708 1.203 . . . . 0.0 110.231 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -125.47 121.24 33.19 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.647 1.579 . . . . 0.0 109.689 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -164.95 162.06 20.38 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.8 p -92.31 -7.29 48.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.947 2.099 . . . . 0.0 113.86 164.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.78 153.48 95.06 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 119.509 1.05 . . . . 0.0 111.655 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 138.44 28.49 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.305 2.67 . . . . 0.0 112.001 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -56.22 -46.95 79.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.957 1.303 . . . . 0.0 114.349 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.31 -25.64 68.13 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.33 -32.45 72.58 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.263 -0.898 . . . . 0.0 111.889 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.67 -42.51 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.204 -0.935 . . . . 0.0 109.979 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.8 mt -55.22 -39.91 70.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.024 0.829 . . . . 0.0 112.115 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -76.91 -27.15 54.83 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -74.96 -35.06 62.12 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.421 -1.424 . . . . 0.0 111.123 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.66 -46.81 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.985 0.914 . . . . 0.0 110.397 167.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.49 -35.5 76.09 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.036 -1.04 . . . . 0.0 112.786 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -73.35 -25.8 60.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 m -64.26 -34.15 77.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.192 0.997 . . . . 0.0 109.692 167.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.28 -9.72 61.22 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 126.185 1.85 . . . . 0.0 114.717 162.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.82 149.11 45.57 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.68 1.24 . . . . 0.0 112.076 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -78.06 141.84 38.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.032 0.533 . . . . 0.0 111.79 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -110.03 121.75 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.971 1.309 . . . . 0.0 109.52 -170.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.55 -39.17 38.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.2 1.0 . . . . 0.0 112.17 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.7 p -162.33 161.26 27.44 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.665 1.121 . . . . 0.0 112.547 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.42 9.44 Favored Glycine 0 N--CA 1.466 0.648 0 C-N-CA 124.405 1.003 . . . . 0.0 111.23 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -151.14 158.76 44.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.95 152.63 19.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.653 1.581 . . . . 0.0 111.331 167.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.134 1.774 . . . . 0.0 112.319 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.747 -0.094 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -84.92 -151.24 0.13 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -172.92 148.09 1.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 126.806 2.042 . . . . 0.0 109.487 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -145.37 149.78 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.406 1.483 . . . . 0.0 109.456 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.42 HG12 HD23 ' B' ' 69' ' ' LEU . 12.1 tt -140.91 135.09 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.067 0.947 . . . . 0.0 109.151 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 0.6 OUTLIER -141.75 144.01 33.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 111.554 -164.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.19 111.84 20.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.518 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.98 74.55 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.58 1.152 . . . . 0.0 108.613 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -53.3 -21.1 5.02 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -166.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.34 -11.52 85.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.858 -1.151 . . . . 0.0 115.214 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 23.1 mtm -68.15 120.24 14.02 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.365 1.582 . . . . 0.0 111.271 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -141.45 -61.85 0.47 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.615 1.566 . . . . 0.0 109.468 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.65 -176.46 5.82 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.68 1.592 . . . . 0.0 112.848 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.5 m -87.97 -49.78 6.84 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.893 1.277 . . . . 0.0 113.607 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.78 65.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -164.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -28.86 61.22 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.949 1.3 . . . . 0.0 113.136 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.8 p -80.41 -36.33 33.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -158.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -21.83 66.08 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.145 -177.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -53.1 -25.46 13.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.082 1.353 . . . . 0.0 112.869 167.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.51 -66.65 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.469 0.707 . . . . 0.0 110.512 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -57.05 -44.0 82.53 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.261 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.0 m -52.36 -46.62 66.22 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.599 1.159 . . . . 0.0 111.879 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.94 -49.81 18.89 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.317 0.508 . . . . 0.0 111.696 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.3 -47.3 82.86 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.866 0.757 . . . . 0.0 111.807 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -70.41 -1.68 11.44 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.84 43.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.414 1.006 . . . . 0.0 113.206 166.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.11 130.9 35.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.884 1.274 . . . . 0.0 110.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.43 25.53 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.38 -9.12 0.58 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.402 2.43 . . . . 0.0 114.945 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.73 129.31 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 120.314 2.057 . . . . 0.0 111.118 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.6 m -101.96 -32.33 10.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.427 1.891 . . . . 0.0 112.465 -172.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -165.01 151.38 10.29 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.253 1.821 . . . . 0.0 111.264 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -144.38 101.03 3.63 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.015 1.326 . . . . 0.0 111.256 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -100.32 161.81 13.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.995 1.718 . . . . 0.0 111.672 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -150.17 152.13 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.437 1.895 . . . . 0.0 110.663 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.1 m -131.78 122.22 25.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.31 1.444 . . . . 0.0 110.604 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.7 -19.93 30.14 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -161.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.8 -34.87 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.5 p -94.88 -3.45 48.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.511 1.524 . . . . 0.0 113.736 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.353 10.5 p30 51.74 15.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.135 2.974 . . . . 0.0 116.733 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.38 133.05 45.68 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.489 1.116 . . . . 0.0 110.165 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.46 126.55 49.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.854 1.661 . . . . 0.0 108.622 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -126.54 100.45 6.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.597 1.559 . . . . 0.0 109.066 -164.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.58 141.7 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.518 1.927 . . . . 0.0 110.414 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -130.08 130.4 44.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 126.357 1.863 . . . . 0.0 106.636 -171.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -163.17 148.13 11.39 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.669 1.223 . . . . 0.0 111.469 -168.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.57 -69.63 0.25 Allowed 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 129.219 3.008 . . . . 0.0 114.285 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 48.0 t30 178.12 156.61 0.4 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.269 2.228 . . . . 0.0 108.952 -158.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . 0.283 30.1 mt-10 104.22 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 1 C-N-CA 132.898 4.479 . . . . 0.0 112.752 165.17 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.13 147.44 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.831 1.652 . . . . 0.0 112.714 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -104.66 157.2 17.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.332 1.453 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.98 69.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.188 0.595 . . . . 0.0 112.041 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.02 -43.83 94.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.729 0.812 . . . . 0.0 112.174 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -64.21 -42.42 96.62 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.501 -0.749 . . . . 0.0 111.406 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.44 -43.06 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.231 1.012 . . . . 0.0 110.971 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -59.01 -32.29 69.57 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.17 -0.956 . . . . 0.0 112.887 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.02 -35.25 37.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.732 1.151 . . . . 0.0 110.258 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.02 -50.69 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.799 1.24 . . . . 0.0 111.305 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -75.99 -28.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.588 0.755 . . . . 0.0 111.449 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.71 -32.81 68.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.582 166.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.12 -7.11 54.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.427 1.467 . . . . 0.0 114.649 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.98 -9.1 58.34 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.131 0.878 . . . . 0.0 112.288 161.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.79 24.46 17.66 Favored Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.422 1.487 . . . . 0.0 114.403 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -107.89 -164.63 0.98 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.956 1.303 . . . . 0.0 110.979 173.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.88 11.21 4.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.214 1.406 . . . . 0.0 114.647 -162.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 28.2 p -63.36 145.16 56.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -148.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -119.24 138.46 52.97 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 108.266 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.65 106.93 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.402 1.081 . . . . 0.0 108.738 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' B' ' 6' ' ' LEU . 0.3 OUTLIER -71.02 -45.23 64.27 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.628 1.571 . . . . 0.0 109.468 -170.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 mtm-85 -152.59 151.93 31.23 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.319 2.247 . . . . 0.0 108.409 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -87.59 32.98 0.7 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.469 1.508 . . . . 0.0 112.352 165.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 125.851 1.66 . . . . 0.0 113.867 -174.804 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 . . . . . 0 CA--C 1.554 1.109 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 78.7 mt 72.88 146.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 130.408 3.483 . . . . 0.0 115.026 165.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -130.66 163.08 27.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.384 1.474 . . . . 0.0 112.746 164.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -117.2 134.56 54.64 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.343 1.457 . . . . 0.0 111.515 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -131.35 154.22 48.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.209 1.803 . . . . 0.0 110.959 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -140.38 129.32 23.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.957 1.303 . . . . 0.0 108.915 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -128.96 139.72 51.98 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.57 1.148 . . . . 0.0 110.801 -173.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.11 114.67 28.74 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.084 1.754 . . . . 0.0 109.335 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t -149.91 133.43 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.08 0.952 . . . . 0.0 111.063 -159.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 t -78.29 131.86 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.348 1.459 . . . . 0.0 110.3 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.2 ptp -151.5 145.94 25.54 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.282 1.033 . . . . 0.0 110.24 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -61.35 -50.59 72.32 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -158.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 16' ' ' SER . 2.6 t -166.88 -172.59 2.13 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 125.432 1.493 . . . . 0.0 112.693 -170.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 p -48.35 -28.34 3.12 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.979 3.312 . . . . 0.0 115.826 174.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.91 -46.37 17.36 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -57.99 -43.94 86.88 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.529 -0.748 . . . . 0.0 112.432 171.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.1 p -68.02 -37.11 81.0 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.96 1.254 . . . . 0.0 112.712 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.36 73.59 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 119.245 0.929 . . . . 0.0 113.57 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.9 22.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.8 1.64 . . . . 0.0 112.031 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.1 t -57.9 -40.57 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.136 -0.978 . . . . 0.0 110.062 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -55.3 -41.84 72.89 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.327 169.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -64.26 -40.45 96.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.658 1.117 . . . . 0.0 113.154 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.48 -40.15 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 120.015 1.279 . . . . 0.0 110.931 172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.87 -3.6 59.09 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.825 1.25 . . . . 0.0 113.771 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.7 m -80.99 -51.08 8.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.418 1.487 . . . . 0.0 109.667 166.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.13 -15.24 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.592 -1.318 . . . . 0.0 114.416 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.41 1.53 54.22 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.697 1.599 . . . . 0.0 115.074 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -47.62 -32.92 3.2 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -58.58 -14.1 19.93 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 121.773 1.669 . . . . 0.0 114.827 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -132.91 -24.03 1.95 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.568 1.547 . . . . 0.0 114.063 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.77 133.16 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 120.356 -1.465 . . . . 0.0 110.565 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -44.97 11.56 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.147 1.379 . . . . 0.0 111.846 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.75 149.45 3.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.21 1.804 . . . . 0.0 110.445 -170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -133.97 168.98 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.964 1.706 . . . . 0.0 111.933 161.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -158.27 129.95 6.71 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.264 1.026 . . . . 0.0 111.664 162.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.4 mt -99.16 121.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.185 0.994 . . . . 0.0 110.274 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 m -102.36 77.34 1.64 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.475 1.91 . . . . 0.0 109.29 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.41 -37.78 88.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.989 1.716 . . . . 0.0 114.037 -165.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.83 -31.66 61.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.858 0.754 . . . . 0.0 111.739 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -81.26 -3.33 52.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.058 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 80.39 10.2 1.17 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.853 2.461 . . . . 0.0 113.642 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -125.26 158.3 34.45 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -166.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.84 134.6 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 127.076 2.15 . . . . 0.0 109.172 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -101.79 138.32 38.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.326 1.45 . . . . 0.0 110.822 171.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.45 142.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.752 1.221 . . . . 0.0 111.583 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.49 126.27 27.38 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.579 1.952 . . . . 0.0 109.445 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 t -170.63 155.74 5.01 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 p -76.02 -5.4 46.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 128.913 2.885 . . . . 0.0 114.275 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.85 158.7 67.43 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.216 1.406 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.84 167.24 10.64 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.345 3.363 . . . . 0.0 113.735 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -77.66 -45.55 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.432 0.693 . . . . 0.0 111.37 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.88 -43.14 65.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.7 1.2 . . . . 0.0 111.951 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.65 -35.04 76.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.384 0.673 . . . . 0.0 112.797 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.8 -41.81 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.429 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.91 -41.14 64.14 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.09 0.859 . . . . 0.0 111.665 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -71.96 -37.2 69.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.887 1.675 . . . . 0.0 113.814 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' THR . 49.5 mmtt -66.69 -44.98 80.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.221 1.373 . . . . 0.0 111.554 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.47 -54.87 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.418 1.087 . . . . 0.0 110.226 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -47.83 -48.97 30.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.975 1.31 . . . . 0.0 112.829 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -61.46 -28.97 69.66 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' LYS . 27.0 p -69.2 -15.99 63.51 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.84 7.55 80.98 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 124.541 1.067 . . . . 0.0 114.967 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -91.51 137.77 32.1 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.488 1.515 . . . . 0.0 109.663 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.54 126.37 35.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.385 -0.822 . . . . 0.0 111.379 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.5 t -82.89 133.1 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.085 1.354 . . . . 0.0 110.152 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -93.74 -51.47 4.9 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.071 1.348 . . . . 0.0 109.798 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -168.21 169.78 10.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.918 1.687 . . . . 0.0 111.249 167.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.71 156.85 26.91 Favored Glycine 0 N--CA 1.471 0.995 0 O-C-N 121.195 -0.941 . . . . 0.0 114.268 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -154.61 160.04 41.21 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -100.78 147.07 26.48 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.705 2.002 . . . . 0.0 111.17 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.255 1.376 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.174 -174.502 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.715 0.293 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -145.87 112.94 6.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 129.222 3.009 . . . . 0.0 108.281 -167.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -75.13 144.03 43.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.977 1.711 . . . . 0.0 112.583 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.3 156.16 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 126.784 2.034 . . . . 0.0 110.162 165.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 tt -131.87 142.82 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 123.418 0.687 . . . . 0.0 109.342 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.92 146.63 39.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.553 1.141 . . . . 0.0 110.528 -172.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.68 118.38 32.25 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.541 0.736 . . . . 0.0 109.916 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.88 74.38 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.557 1.143 . . . . 0.0 108.785 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -28.47 68.65 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.413 -0.805 . . . . 0.0 112.555 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.08 16.64 56.67 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.826 1.679 . . . . 0.0 114.653 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.4 ptm -62.82 166.06 6.0 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.113 1.457 . . . . 0.0 113.813 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -170.65 144.96 2.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.582 1.953 . . . . 0.0 110.176 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t 53.35 -150.97 0.35 Allowed 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 129.113 2.965 . . . . 0.0 113.942 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 80.9 p -118.05 -89.05 0.6 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.729 1.612 . . . . 0.0 111.804 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.74 61.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.443 1.497 . . . . 0.0 113.265 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.04 -41.3 62.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.638 1.575 . . . . 0.0 112.141 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.0 p -63.28 -31.89 73.16 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.548 1.139 . . . . 0.0 112.986 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.31 -8.27 38.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.642 1.11 . . . . 0.0 112.664 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -55.24 -28.2 51.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.737 1.153 . . . . 0.0 110.917 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.84 -51.38 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.734 0.697 . . . . 0.0 110.799 168.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.13 -38.6 91.14 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.98 -1.075 . . . . 0.0 111.746 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -52.23 -41.3 62.64 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.203 0.91 . . . . 0.0 113.338 169.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.98 -51.21 41.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.186 0.903 . . . . 0.0 111.54 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.07 -35.32 80.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.605 0.638 . . . . 0.0 112.287 -175.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -70.5 -2.62 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.343 1.457 . . . . 0.0 113.929 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.1 -9.48 21.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.94 1.296 . . . . 0.0 113.859 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.52 -168.5 2.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.502 1.521 . . . . 0.0 110.586 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -127.04 135.95 51.52 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.589 1.156 . . . . 0.0 110.261 167.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.36 -32.9 3.97 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-O 118.023 -1.432 . . . . 0.0 115.471 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.65 123.76 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.312 2.056 . . . . 0.0 110.419 -174.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -86.65 -38.93 16.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.485 1.514 . . . . 0.0 112.209 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -168.44 145.9 4.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.445 1.898 . . . . 0.0 111.171 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t -127.52 135.25 50.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 111.602 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -135.67 118.35 16.03 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.87 1.268 . . . . 0.0 112.711 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.87 125.52 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 127.657 2.383 . . . . 0.0 110.116 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -107.41 107.67 18.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.315 1.046 . . . . 0.0 111.282 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.43 -18.28 62.33 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.76 -24.27 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.259 0.936 . . . . 0.0 111.666 173.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -125.52 -2.45 7.39 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.322 12.1 p30 50.64 18.94 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.07 2.148 . . . . 0.0 115.886 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -78.42 132.85 37.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.728 1.211 . . . . 0.0 110.48 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.99 121.1 42.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.39 1.476 . . . . 0.0 108.782 171.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -114.47 101.37 9.07 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 125.559 1.543 . . . . 0.0 107.793 -168.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.69 142.07 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.714 1.606 . . . . 0.0 110.555 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.2 m -129.53 130.55 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 127.079 2.152 . . . . 0.0 106.157 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -156.62 135.12 11.5 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 122.818 1.294 . . . . 0.0 111.627 -166.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.6 149.44 47.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.134 0.968 . . . . 0.0 110.931 158.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -70.51 10.99 0.4 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -161.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.85 -15.51 59.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.858 1.263 . . . . 0.0 113.348 167.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -126.92 163.8 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.49 2.316 . . . . 0.0 109.311 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -125.62 151.36 46.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.005 1.722 . . . . 0.0 110.828 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.42 68.7 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.27 -28.38 67.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.654 0.782 . . . . 0.0 111.909 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -73.54 -37.36 65.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.802 -1.187 . . . . 0.0 111.115 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.11 -42.32 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.784 -1.197 . . . . 0.0 110.136 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.8 -5.33 8.58 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.529 1.532 . . . . 0.0 114.234 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -102.9 -52.3 3.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.593 1.557 . . . . 0.0 108.044 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.7 mm -46.74 -52.53 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.77 2.428 . . . . 0.0 113.454 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.14 -31.48 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.387 0.675 . . . . 0.0 111.071 -177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -79.63 -28.07 40.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.67 -15.18 52.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.202 0.91 . . . . 0.0 113.375 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.15 -29.82 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.992 -1.067 . . . . 0.0 111.613 164.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.99 24.98 5.29 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.139 1.828 . . . . 0.0 115.014 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.93 -155.82 0.57 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.49 1.145 . . . . 0.0 110.243 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -156.74 139.97 15.58 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.261 1.824 . . . . 0.0 107.72 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -162.31 156.88 22.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.07 145.26 51.32 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.969 2.108 . . . . 0.0 107.289 164.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.93 116.17 5.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 167.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.04 -47.04 9.26 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.885 1.274 . . . . 0.0 108.821 -164.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -157.04 150.51 24.23 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.79 1.636 . . . . 0.0 109.424 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.82 23.03 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.467 1.507 . . . . 0.0 114.89 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 128.109 2.564 . . . . 0.0 112.939 -178.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 CA--C 1.536 0.43 0 CA-C-O 121.136 0.493 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.3 mt -89.33 143.19 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -170.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.93 168.41 11.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.394 2.278 . . . . 0.0 111.053 171.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -132.61 133.61 43.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.391 1.476 . . . . 0.0 111.153 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -142.15 148.2 37.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.056 1.342 . . . . 0.0 111.876 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -141.58 147.03 37.02 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 111.362 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -143.43 144.45 32.03 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.436 1.494 . . . . 0.0 111.213 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -91.75 119.96 32.05 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.824 1.249 . . . . 0.0 108.831 160.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.42 138.47 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.038 1.335 . . . . 0.0 109.494 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -71.76 110.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.7 mtm -130.01 96.59 4.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.473 1.109 . . . . 0.0 109.462 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -89.31 -51.82 5.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.074 2.149 . . . . 0.0 112.391 -167.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.7 p -89.84 -161.56 0.79 Allowed 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 122.724 1.249 . . . . 0.0 113.84 -166.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 p -93.03 -10.53 35.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.21 2.204 . . . . 0.0 113.662 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.74 -15.61 6.76 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 125.133 1.349 . . . . 0.0 116.019 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 t -65.86 -41.66 91.35 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.662 1.731 . . . . 0.0 112.65 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.54 -21.94 41.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.7 1.6 . . . . 0.0 114.191 171.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.94 -43.42 5.39 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.983 1.277 . . . . 0.0 111.357 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.9 93.88 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.551 1.176 . . . . 0.0 111.966 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.62 -44.77 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 122.843 0.457 . . . . 0.0 111.068 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -59.09 -43.32 91.84 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.651 0.66 . . . . 0.0 111.479 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -61.34 -21.85 64.39 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.081 1.353 . . . . 0.0 114.09 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.46 -45.72 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.757 1.162 . . . . 0.0 111.598 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.08 -33.7 44.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.221 1.008 . . . . 0.0 113.233 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 p -65.25 -15.98 63.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.027 1.331 . . . . 0.0 114.349 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -75.78 -5.34 45.32 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.589 1.155 . . . . 0.0 113.124 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.3 mt -125.46 22.26 7.72 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.19 1.796 . . . . 0.0 112.818 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -56.3 -24.94 1.56 Allowed Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -60.91 -24.49 79.46 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 CA-C-N 121.852 1.697 . . . . 0.0 113.359 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -122.81 -23.46 5.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.997 1.319 . . . . 0.0 114.352 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.53 132.4 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.345 1.458 . . . . 0.0 109.83 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -99.12 -39.51 8.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.455 1.502 . . . . 0.0 113.27 -167.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -162.25 145.37 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.622 1.169 . . . . 0.0 111.998 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -134.53 143.26 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.442 1.497 . . . . 0.0 109.579 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.5 125.37 11.95 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.889 1.222 . . . . 0.0 112.262 162.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.9 117.63 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.156 0.982 . . . . 0.0 110.773 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -111.87 92.94 4.22 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.718 -1.239 . . . . 0.0 111.036 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.84 -43.32 94.66 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.984 1.314 . . . . 0.0 113.684 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.98 -28.11 64.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.246 1.018 . . . . 0.0 112.242 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -89.25 -4.3 58.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.442 1.097 . . . . 0.0 112.86 170.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 49.93 27.22 2.29 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.24 2.216 . . . . 0.0 114.623 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -100.15 150.41 22.53 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.696 1.198 . . . . 0.0 113.141 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -127.22 126.99 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 113.343 -1.753 . . . . 0.0 108.503 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -118.04 130.79 56.37 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 110.894 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -139.3 139.97 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.914 0.885 . . . . 0.0 111.778 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.57 138.28 54.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.264 1.826 . . . . 0.0 109.899 160.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 t -168.89 156.42 7.48 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.224 1.41 . . . . 0.0 111.378 -174.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.0 p -81.97 -8.06 59.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.433 1.493 . . . . 0.0 113.056 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.46 149.32 86.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.104 1.362 . . . . 0.0 112.532 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.41 150.38 32.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.823 3.015 . . . . 0.0 111.865 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.63 -38.26 89.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 0.0 112.838 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.19 -33.2 67.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.991 1.317 . . . . 0.0 112.857 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.7 -31.67 63.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.656 -0.652 . . . . 0.0 112.008 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.3 -41.48 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.004 0.921 . . . . 0.0 110.852 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.19 -34.92 75.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.432 0.693 . . . . 0.0 112.143 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -74.53 -32.51 62.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.81 1.244 . . . . 0.0 113.977 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -67.52 -35.68 79.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.598 1.09 . . . . 0.0 111.683 167.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.54 -39.89 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.131 0.972 . . . . 0.0 111.452 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.23 -42.63 99.27 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.915 0.78 . . . . 0.0 111.138 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.0 -40.2 87.29 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -76.66 -11.52 59.87 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -25.39 2.63 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.678 1.608 . . . . 0.0 115.669 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.47 132.06 51.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.53 1.165 . . . . 0.0 111.083 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.43 151.21 41.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.145 0.578 . . . . 0.0 112.358 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.83 149.59 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.483 1.113 . . . . 0.0 111.385 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -102.43 -31.74 10.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.398 1.079 . . . . 0.0 112.821 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 p -171.95 169.67 5.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 110.597 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.12 164.62 22.0 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 121.509 -0.744 . . . . 0.0 114.254 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -168.53 171.44 8.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.339 1.456 . . . . 0.0 114.062 -174.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.09 146.17 25.82 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.315 2.246 . . . . 0.0 111.237 172.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.941 1.697 . . . . 0.0 113.165 -173.544 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -178.93 150.35 0.48 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.803 2.841 . . . . 0.0 107.93 -170.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -140.39 148.12 40.78 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 127.673 2.389 . . . . 0.0 111.577 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 m -152.75 161.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 126.043 1.737 . . . . 0.0 111.229 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.9 135.74 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.225 1.01 . . . . 0.0 109.247 164.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -112.15 154.29 25.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.33 1.852 . . . . 0.0 109.675 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.63 138.74 31.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.99 0.516 . . . . 0.0 109.618 159.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.37 87.87 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.494 1.918 . . . . 0.0 108.06 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.47 -13.03 62.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 7.41 67.34 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.479 -167.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.2 ptp -85.83 154.95 21.2 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.429 1.614 . . . . 0.0 112.323 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.4 t 167.02 -37.87 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 129.758 3.223 . . . . 0.0 110.963 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.77 165.13 25.44 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.882 2.073 . . . . 0.0 113.961 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -92.76 3.66 55.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -162.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.21 -24.14 0.74 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -63.71 -22.39 66.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 120.676 1.58 . . . . 0.0 112.672 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -58.45 -47.93 82.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 125.953 1.701 . . . . 0.0 112.611 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -29.63 69.74 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.088 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -55.54 -33.95 64.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.433 1.093 . . . . 0.0 111.005 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -54.31 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.833 0.742 . . . . 0.0 109.188 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -63.64 -54.0 42.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.51 1.124 . . . . 0.0 112.622 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 m -48.22 -39.74 22.18 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.368 1.467 . . . . 0.0 112.596 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.13 -53.39 4.89 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.909 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.311 0.7 OUTLIER -74.8 -28.75 60.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.128 1.331 . . . . 0.0 112.998 -173.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -57.84 -25.29 60.47 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.72 1.146 . . . . 0.0 112.698 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -0.74 53.86 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.4 mt -79.95 133.02 36.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.593 1.088 . . . . 0.0 110.471 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -61.75 117.09 5.38 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.3 1.04 . . . . 0.0 110.869 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.21 -25.1 16.79 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.784 1.659 . . . . 0.0 113.953 -170.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.19 137.06 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 120.529 2.165 . . . . 0.0 111.596 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.0 m -106.53 -41.13 5.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.575 1.55 . . . . 0.0 111.528 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -165.08 161.16 19.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.93 1.292 . . . . 0.0 113.114 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.1 130.6 27.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.152 2.181 . . . . 0.0 110.916 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -131.14 167.0 19.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.89 1.676 . . . . 0.0 110.53 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.6 pt -148.7 167.95 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.548 1.539 . . . . 0.0 112.775 -170.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.2 m -138.59 109.94 6.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 111.519 165.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.55 -30.51 67.18 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.4 1.88 . . . . 0.0 116.045 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 83.5 t -81.54 -34.38 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.374 0.533 . . . . 0.0 111.264 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -102.02 -7.72 22.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.141 1.376 . . . . 0.0 113.795 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 65.12 25.13 12.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.468 1.907 . . . . 0.0 112.802 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -87.29 143.9 27.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.991 1.717 . . . . 0.0 111.563 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 92.3 m -132.21 121.33 23.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.509 . . . . 0.0 109.857 169.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -113.12 116.28 29.61 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.9 139.18 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.79 2.036 . . . . 0.0 110.701 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -123.31 122.36 38.14 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 127.382 2.273 . . . . 0.0 106.693 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -152.75 -144.08 0.14 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -165.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -174.57 153.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.918 3.287 . . . . 0.0 109.96 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -75.68 8.79 2.69 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -158.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.03 -19.03 64.9 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.736 1.214 . . . . 0.0 112.679 164.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.15 157.83 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 109.503 166.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 p -119.69 158.85 25.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.877 1.671 . . . . 0.0 111.983 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.96 58.85 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.95 -37.91 69.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.921 1.288 . . . . 0.0 112.657 171.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 75.4 m -66.52 -39.54 88.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.579 -0.7 . . . . 0.0 110.535 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.91 -41.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.167 -0.958 . . . . 0.0 110.17 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -67.44 -4.59 11.68 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -95.83 -54.49 3.32 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.296 -1.503 . . . . 0.0 108.067 169.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.81 -49.22 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.518 1.527 . . . . 0.0 112.634 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.99 -23.0 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.325 -0.859 . . . . 0.0 111.509 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.68 -27.82 58.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.766 -0.635 . . . . 0.0 112.643 166.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -79.12 -19.74 50.35 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.812 1.245 . . . . 0.0 113.383 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.2 m -72.14 -10.95 60.47 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.355 1.062 . . . . 0.0 113.0 165.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.49 19.57 27.28 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.419 1.009 . . . . 0.0 115.01 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.87 -170.61 1.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.94 1.37 . . . . 0.0 110.644 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -134.62 132.77 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 127.03 2.132 . . . . 0.0 107.119 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -164.81 163.41 21.25 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -158.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -172.54 156.14 3.57 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.728 2.411 . . . . 0.0 110.498 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 tp -49.05 126.95 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.339 1.056 . . . . 0.0 111.385 160.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -101.94 -48.82 4.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.74 1.216 . . . . 0.0 108.913 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -170.83 177.22 3.89 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.945 2.098 . . . . 0.0 110.723 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.33 70.06 5.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.533 1.933 . . . . 0.0 111.801 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.462 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.41 129.8 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 125.011 1.325 . . . . 0.0 110.516 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.78 152.9 18.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.809 1.644 . . . . 0.0 110.989 164.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -113.36 134.14 54.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.949 1.3 . . . . 0.0 110.025 168.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -125.07 144.43 50.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.126 1.37 . . . . 0.0 110.303 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -134.41 117.5 16.38 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.736 0.814 . . . . 0.0 110.112 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.04 134.65 55.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.963 1.305 . . . . 0.0 111.106 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -99.08 122.29 42.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.433 1.893 . . . . 0.0 107.281 165.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.81 145.22 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.331 1.052 . . . . 0.0 110.41 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 116.47 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.619 0.768 . . . . 0.0 110.16 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.6 mtm -142.03 141.22 32.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.157 0.983 . . . . 0.0 112.984 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 m -139.72 -22.06 0.89 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.111 1.764 . . . . 0.0 113.427 -167.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.2 143.85 27.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.975 1.31 . . . . 0.0 111.445 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -63.49 -24.63 67.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.494 1.518 . . . . 0.0 114.369 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.44 -42.9 9.81 Favored Glycine 0 N--CA 1.47 0.933 0 CA-C-N 119.077 0.853 . . . . 0.0 111.722 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.6 t -66.11 -31.62 72.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.033 1.333 . . . . 0.0 112.932 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 p -82.97 -43.02 16.9 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.688 -1.257 . . . . 0.0 111.505 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -19.0 43.11 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 125.084 1.326 . . . . 0.0 113.708 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.64 -44.19 37.21 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.181 0.993 . . . . 0.0 112.678 161.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.03 -47.68 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.721 1.146 . . . . 0.0 110.701 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -54.97 -55.02 35.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.899 0.88 . . . . 0.0 110.789 170.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.92 -20.56 62.46 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.41 -54.67 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 O-C-N 120.416 -1.428 . . . . 0.0 110.375 163.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.29 -16.34 59.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.0 m -56.03 -27.22 52.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.487 1.115 . . . . 0.0 112.435 164.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' B' ' 60' ' ' GLU . 60.7 mttp -62.32 -10.16 10.29 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.281 -1.512 . . . . 0.0 114.001 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -115.98 22.01 13.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.437 1.895 . . . . 0.0 113.193 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -47.24 -35.37 5.96 Favored Pre-proline 0 N--CA 1.481 1.084 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.79 -13.18 38.9 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.748 1.632 . . . . 0.0 114.098 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -130.74 -30.95 1.79 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.183 1.793 . . . . 0.0 113.808 -171.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -109.52 119.01 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.899 2.08 . . . . 0.0 107.295 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 p -89.7 -33.93 16.43 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -155.29 141.98 18.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.444 1.098 . . . . 0.0 112.802 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 mp -123.35 136.87 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.901 1.68 . . . . 0.0 109.103 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -145.85 113.99 6.59 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.338 1.055 . . . . 0.0 112.08 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.3 mt -98.32 143.34 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.274 1.43 . . . . 0.0 111.438 -173.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -132.82 88.94 2.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.154 1.782 . . . . 0.0 109.742 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.73 -38.2 86.2 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.353 1.061 . . . . 0.0 113.854 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -63.71 -37.61 87.99 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.234 0.925 . . . . 0.0 110.568 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -92.75 10.72 29.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.853 1.261 . . . . 0.0 113.027 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 57.85 22.21 8.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.471 2.308 . . . . 0.0 115.338 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.13 151.94 22.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.332 1.453 . . . . 0.0 113.818 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -137.36 129.85 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.793 2.037 . . . . 0.0 109.01 170.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -102.78 135.58 44.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.396 1.478 . . . . 0.0 110.507 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.79 141.39 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.926 1.29 . . . . 0.0 110.685 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -131.13 129.47 41.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.036 1.734 . . . . 0.0 111.008 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -169.32 155.97 6.64 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.876 0.87 . . . . 0.0 113.214 -171.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -83.15 -7.54 59.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.452 1.501 . . . . 0.0 113.75 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.33 164.28 62.17 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.779 1.632 . . . . 0.0 114.104 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.17 149.39 89.46 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.048 3.165 . . . . 0.0 112.929 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -67.35 -47.16 71.24 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.85 0.86 . . . . 0.0 111.731 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -63.22 -23.14 67.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.642 1.177 . . . . 0.0 112.936 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -67.26 -41.88 84.81 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.762 -0.586 . . . . 0.0 110.959 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mm -69.06 -34.81 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.775 0.83 . . . . 0.0 111.989 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.76 -42.31 68.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.923 0.889 . . . . 0.0 112.422 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.42 -30.33 57.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.914 1.286 . . . . 0.0 113.809 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.57 -37.97 80.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.641 1.109 . . . . 0.0 110.969 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.56 -50.55 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.594 -0.691 . . . . 0.0 110.27 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -53.34 -40.28 64.75 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.056 0.844 . . . . 0.0 112.392 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -54.61 -30.26 54.17 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.5 p -77.83 19.09 0.42 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.792 1.237 . . . . 0.0 114.16 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.15 85.2 Favored Glycine 0 N--CA 1.469 0.838 0 C-N-CA 125.385 1.469 . . . . 0.0 115.061 163.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.6 150.97 48.58 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -165.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -86.21 139.85 30.68 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -88.85 126.35 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.529 1.532 . . . . 0.0 108.656 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -78.48 -42.03 30.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.432 1.493 . . . . 0.0 111.436 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 149.08 3.63 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.196 1.399 . . . . 0.0 112.758 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.13 141.06 12.33 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 125.289 1.423 . . . . 0.0 113.565 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -124.83 151.49 45.16 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 113.184 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.37 128.4 52.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.236 2.214 . . . . 0.0 108.764 166.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 123.975 0.91 . . . . 0.0 112.254 -169.425 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -168.09 148.21 4.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 127.997 2.519 . . . . 0.0 107.204 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.99 151.41 50.8 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.838 2.055 . . . . 0.0 111.704 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 p -162.29 135.42 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.345 1.058 . . . . 0.0 111.217 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -118.39 137.42 52.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.539 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 3.9 pp -139.13 141.51 38.06 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.972 0.909 . . . . 0.0 111.25 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.04 111.14 22.47 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.016 0.826 . . . . 0.0 110.202 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.77 113.06 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.014 0.926 . . . . 0.0 110.886 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -78.72 -3.76 45.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.826 1.251 . . . . 0.0 113.997 -172.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.14 3.48 28.43 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -164.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -107.24 151.96 24.75 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.826 1.313 . . . . 0.0 113.884 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 -49.08 1.75 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.202 1.001 . . . . 0.0 112.352 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 p -145.55 -168.79 3.06 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.203 1.401 . . . . 0.0 113.221 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -72.93 4.66 3.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.604 1.562 . . . . 0.0 114.29 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.23 -48.55 6.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.504 1.122 . . . . 0.0 109.89 163.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -55.95 -39.88 72.37 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.06 1.344 . . . . 0.0 112.329 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 p -66.75 -54.47 22.51 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 111.682 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -70.33 -17.32 63.06 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.128 1.331 . . . . 0.0 113.248 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -70.0 -19.17 63.34 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.619 -0.676 . . . . 0.0 111.276 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.7 -64.56 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.486 1.114 . . . . 0.0 110.303 169.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -56.0 -54.95 38.65 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.135 1.374 . . . . 0.0 111.918 -169.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.9 m -53.78 -34.75 60.04 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.663 1.12 . . . . 0.0 113.017 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -78.18 -43.87 27.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.826 0.739 . . . . 0.0 112.081 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.51 -43.42 49.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.737 0.815 . . . . 0.0 112.296 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -54.87 -28.51 50.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.361 1.065 . . . . 0.0 113.06 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 0.71 15.57 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.297 1.439 . . . . 0.0 114.866 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -76.66 123.94 26.9 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 119.645 1.111 . . . . 0.0 110.953 173.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -65.94 105.67 1.38 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.651 0.78 . . . . 0.0 110.104 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.89 -24.5 3.82 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.643 2.068 . . . . 0.0 113.728 -169.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.46 140.56 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 118.904 1.352 . . . . 0.0 110.67 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 34.9 p -120.36 -32.34 4.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.266 1.827 . . . . 0.0 113.535 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -143.69 153.98 43.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.934 1.694 . . . . 0.0 110.33 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 35.7 t -147.87 136.31 21.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.172 0.989 . . . . 0.0 111.258 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.37 159.61 44.18 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.259 1.824 . . . . 0.0 111.72 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -150.17 136.08 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.261 2.225 . . . . 0.0 109.639 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -119.55 137.33 53.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.091 0.956 . . . . 0.0 110.952 166.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.14 -29.59 16.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.391 1.077 . . . . 0.0 113.706 -155.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -76.63 -20.55 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 111.773 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -127.17 10.31 6.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.295 2.238 . . . . 0.0 112.637 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.5 8.76 5.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.793 1.637 . . . . 0.0 114.353 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -89.95 122.56 33.09 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.308 1.043 . . . . 0.0 112.498 -166.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -113.45 126.74 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.152 2.181 . . . . 0.0 110.002 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -114.35 103.02 10.65 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.239 1.815 . . . . 0.0 108.597 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.51 134.09 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.468 1.507 . . . . 0.0 110.424 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -134.03 121.72 21.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.991 1.316 . . . . 0.0 108.825 -168.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -147.4 -151.46 0.39 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.792 1.237 . . . . 0.0 111.21 -161.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.75 163.69 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 127.787 2.435 . . . . 0.0 110.706 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.4 -0.46 3.68 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -154.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -63.39 -27.44 69.31 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 111.739 161.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 78.1 t -107.14 152.76 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.207 1.803 . . . . 0.0 108.365 169.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.9 t -134.5 144.07 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.813 1.645 . . . . 0.0 110.649 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.47 49.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.196 1.398 . . . . 0.0 113.445 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.29 -38.49 68.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.194 0.998 . . . . 0.0 112.186 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -69.76 -39.92 76.42 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 90.5 mt -54.8 -47.35 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 121.616 -0.677 . . . . 0.0 110.104 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -70.06 4.56 2.05 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.07 -38.29 4.22 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.101 -1.624 . . . . 0.0 110.265 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -72.32 -39.65 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 111.736 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.93 -26.85 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.385 0.993 . . . . 0.0 111.363 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 75.2 mt-10 -80.9 -33.26 34.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.239 0.615 . . . . 0.0 111.113 173.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -67.06 -23.97 65.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.131 1.373 . . . . 0.0 112.685 171.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.46 -14.99 56.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 113.185 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.76 22.72 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.967 1.27 . . . . 0.0 116.202 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -114.96 -167.09 1.18 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.171 1.388 . . . . 0.0 110.11 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -169.24 140.94 2.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.842 1.257 . . . . 0.0 110.065 -164.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 23.2 p -161.05 172.75 16.3 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.705 1.202 . . . . 0.0 112.191 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.45 -0.95 21.91 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mm 47.36 78.71 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 128.392 2.677 . . . . 0.0 110.095 -161.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.539 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.284 0.5 OUTLIER -54.04 -44.78 71.31 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -166.044 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -170.26 140.3 1.87 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.195 1.798 . . . . 0.0 112.086 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.85 36.31 0.39 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.912 2.885 . . . . 0.0 114.136 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.256 1.424 0 C-N-CA 127.358 2.263 . . . . 0.0 116.932 -158.514 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 CA--C 1.539 0.53 0 CA-C-O 121.169 0.509 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.9 mt -72.64 136.11 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.448 0.699 . . . . 0.0 109.791 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -111.97 146.2 38.27 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.643 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -105.69 125.65 51.24 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.418 0.687 . . . . 0.0 111.61 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -128.02 157.62 40.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.532 1.533 . . . . 0.0 111.111 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -152.83 131.76 12.52 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.48 -0.763 . . . . 0.0 112.169 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.05 151.11 50.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.99 1.716 . . . . 0.0 110.67 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -111.06 127.78 55.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.208 1.403 . . . . 0.0 109.839 170.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.26 138.41 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.367 1.067 . . . . 0.0 109.569 -167.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.24 114.37 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 0.0 109.898 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.67 118.3 13.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.89 0.876 . . . . 0.0 112.261 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 p -70.12 -38.3 75.56 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.891 1.677 . . . . 0.0 114.539 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.2 p -169.04 177.16 5.01 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 122.097 0.951 . . . . 0.0 113.352 -150.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -68.31 -6.67 25.36 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.771 -1.206 . . . . 0.0 113.973 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.25 94.95 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.282 0.947 . . . . 0.0 111.154 167.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -59.44 -48.16 82.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.809 0.843 . . . . 0.0 111.2 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -57.5 -25.94 60.55 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.3 -63.72 1.92 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.35 89.41 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.97 -46.2 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.552 0.615 . . . . 0.0 110.773 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.81 -42.55 89.43 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.997 0.817 . . . . 0.0 110.677 171.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -71.07 3.74 3.21 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.643 1.577 . . . . 0.0 114.997 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.4 -51.77 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.721 -1.237 . . . . 0.0 110.798 156.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.12 -15.44 61.48 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -57.09 -23.72 48.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.181 1.793 . . . . 0.0 113.877 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.86 -11.87 61.0 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.841 1.257 . . . . 0.0 113.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -123.7 17.56 9.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.056 1.742 . . . . 0.0 113.441 -169.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.25 -27.65 3.0 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -58.98 -24.11 71.6 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 121.635 1.62 . . . . 0.0 113.752 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -115.95 -34.32 4.8 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.828 1.651 . . . . 0.0 113.644 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t -88.27 131.68 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.246 1.418 . . . . 0.0 110.025 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -99.85 -36.19 9.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.117 0.967 . . . . 0.0 113.277 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.21 143.91 19.44 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.053 0.941 . . . . 0.0 112.341 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.09 138.89 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.531 1.533 . . . . 0.0 108.266 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.39 123.24 29.43 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.09 0.859 . . . . 0.0 112.134 165.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -96.98 131.03 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.427 1.491 . . . . 0.0 108.494 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 m -114.19 85.23 2.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.163 1.385 . . . . 0.0 108.885 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.91 -51.66 66.84 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.973 1.309 . . . . 0.0 113.193 -167.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -67.18 -34.18 76.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.281 1.032 . . . . 0.0 111.197 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -81.88 -1.58 48.2 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.461 1.504 . . . . 0.0 112.903 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 56.85 18.7 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.474 2.71 . . . . 0.0 115.336 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.23 153.84 18.95 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.277 1.431 . . . . 0.0 113.204 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -133.92 126.22 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.331 1.853 . . . . 0.0 108.712 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.59 132.1 54.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.397 1.879 . . . . 0.0 109.323 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.02 141.66 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.402 1.081 . . . . 0.0 110.882 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -128.03 115.29 18.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.238 1.815 . . . . 0.0 110.333 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 163.4 31.84 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.819 0.848 . . . . 0.0 112.618 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -96.84 -15.43 21.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.871 2.068 . . . . 0.0 114.05 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.74 164.32 24.47 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -64.88 147.48 89.38 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.522 2.814 . . . . 0.0 116.223 -168.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -54.0 -40.21 66.75 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.122 1.769 . . . . 0.0 111.769 164.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.95 -25.04 57.04 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.667 1.587 . . . . 0.0 114.232 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -91.57 -40.0 11.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.699 0.681 . . . . 0.0 111.708 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -59.97 -42.68 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.498 -0.751 . . . . 0.0 111.66 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.52 -31.89 73.19 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.825 0.739 . . . . 0.0 112.287 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.9 -21.39 54.98 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.479 1.112 . . . . 0.0 113.918 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -67.23 -54.33 21.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.881 1.219 . . . . 0.0 109.968 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.54 -37.05 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 122.992 0.517 . . . . 0.0 111.648 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -57.52 -35.14 69.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.373 -1.454 . . . . 0.0 112.289 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -88.57 1.65 54.53 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.167 1.387 . . . . 0.0 114.368 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -84.97 -27.77 26.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 112.3 167.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -25.29 18.99 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.12 132.15 49.62 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.732 1.266 . . . . 0.0 109.818 168.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.67 132.12 48.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.699 0.681 . . . . 0.0 112.456 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.37 111.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -77.85 -33.8 52.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.198 0.599 . . . . 0.0 112.063 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -158.98 159.27 34.64 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.415 -0.803 . . . . 0.0 111.111 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.16 132.94 3.71 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 123.928 0.775 . . . . 0.0 112.5 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -146.83 153.86 40.66 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.667 1.223 . . . . 0.0 113.981 -173.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -105.35 139.36 40.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.086 1.754 . . . . 0.0 108.716 162.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.784 1.234 . . . . 0.0 111.553 -165.716 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.72 0.772 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -140.65 114.06 8.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 128.616 2.766 . . . . 0.0 108.878 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.65 144.23 51.16 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 124.17 0.988 . . . . 0.0 110.209 154.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.01 143.28 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.044 1.738 . . . . 0.0 109.51 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.85 127.38 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 126.042 1.737 . . . . 0.0 107.106 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -124.74 145.6 49.63 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.049 0.84 . . . . 0.0 110.254 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.97 44.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 119.057 -0.496 . . . . 0.0 110.148 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -139.01 102.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.888 1.675 . . . . 0.0 107.963 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -83.33 -3.96 57.99 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -158.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.29 11.78 16.76 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -171.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -41.03 -57.11 2.11 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -164.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m 71.52 -68.21 0.23 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.832 2.053 . . . . 0.0 112.547 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -94.99 -172.41 2.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 126.447 1.899 . . . . 0.0 115.57 -156.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.0 m -126.82 7.15 6.72 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.901 2.48 . . . . 0.0 112.978 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.01 -44.64 0.95 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.276 1.83 . . . . 0.0 111.171 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.79 -19.91 62.64 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -59.96 -44.97 94.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 124.998 1.319 . . . . 0.0 111.348 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -13.6 62.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.419 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -59.34 -28.3 66.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.089 1.313 . . . . 0.0 111.061 167.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.71 -45.2 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.344 0.974 . . . . 0.0 109.932 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.62 -45.15 91.59 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.383 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -50.68 -40.37 53.57 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.151 1.341 . . . . 0.0 113.368 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -79.84 -47.87 14.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.934 0.788 . . . . 0.0 112.522 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.99 -41.18 99.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.601 1.091 . . . . 0.0 112.308 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -65.41 -9.42 25.02 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.33 1.09 54.27 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.21 1.404 . . . . 0.0 113.606 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.8 mt -95.41 124.7 39.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.659 1.184 . . . . 0.0 111.536 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -63.44 112.79 2.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.156 0.982 . . . . 0.0 110.616 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.18 -31.55 4.02 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.118 1.818 . . . . 0.0 114.624 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.38 126.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.899 1.35 . . . . 0.0 110.347 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -101.83 -24.6 14.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.185 0.994 . . . . 0.0 113.068 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -160.81 144.2 13.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.48 1.512 . . . . 0.0 110.554 167.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -143.28 142.97 31.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.246 1.019 . . . . 0.0 111.635 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -162.08 -173.23 3.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.608 1.563 . . . . 0.0 110.447 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.33 167.71 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.953 2.101 . . . . 0.0 111.528 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 72.4 m -157.28 160.67 38.81 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.334 1.853 . . . . 0.0 110.09 172.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.89 32.86 5.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.067 1.347 . . . . 0.0 112.005 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.65 -45.91 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.61 1.164 . . . . 0.0 109.797 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.7 p -120.1 8.8 11.01 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.27 1.428 . . . . 0.0 112.13 162.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 66.47 75.15 0.33 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.687 2.395 . . . . 0.0 109.426 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.56 147.8 48.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.871 1.669 . . . . 0.0 112.901 -165.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 p -105.09 139.54 39.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 167.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -117.92 92.66 3.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.888 1.675 . . . . 0.0 108.191 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.33 142.58 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 112.286 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.8 m -138.04 139.35 39.54 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 126.258 1.823 . . . . 0.0 108.442 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -153.62 153.18 31.83 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 123.427 1.584 . . . . 0.0 110.935 -166.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -103.75 162.94 12.67 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.41 -1.723 . . . . 0.0 109.784 147.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.318 0.0 OUTLIER 99.64 155.11 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 130.481 3.512 . . . . 0.0 112.674 -177.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.75 34.33 0.06 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.203 2.201 . . . . 0.0 114.864 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.46 153.65 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.157 -1.589 . . . . 0.0 111.271 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -120.34 147.17 45.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.715 2.006 . . . . 0.0 111.623 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.73 54.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.774 1.23 . . . . 0.0 114.081 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.484 1.114 . . . . 0.0 113.245 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.8 m -71.5 -37.24 71.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.867 0.467 . . . . 0.0 110.858 167.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.71 -39.63 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.377 0.671 . . . . 0.0 109.857 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -65.95 32.49 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.994 2.117 . . . . 0.0 114.338 166.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -151.6 -42.83 0.11 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.337 2.655 . . . . 0.0 109.086 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mm -51.22 -52.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.186 0.994 . . . . 0.0 111.517 166.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.5 -23.14 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.269 1.028 . . . . 0.0 111.555 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.78 -32.44 59.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.8 -0.562 . . . . 0.0 112.178 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.43 -15.61 56.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.891 0.877 . . . . 0.0 112.778 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -70.46 -11.72 61.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.894 164.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.52 17.41 31.23 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-O 118.662 -1.076 . . . . 0.0 114.921 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -121.28 -163.52 1.05 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.887 1.343 . . . . 0.0 111.478 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.38 149.4 24.13 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.92 2.088 . . . . 0.0 109.071 -174.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.16 155.32 9.55 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -151.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -151.91 140.46 20.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.873 2.069 . . . . 0.0 108.879 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 12.2 tt -55.62 128.09 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.907 0.86 . . . . 0.0 111.871 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 tp -95.28 -54.16 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.785 1.234 . . . . 0.0 107.977 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -151.83 141.31 21.62 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.141 1.777 . . . . 0.0 111.621 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.86 32.52 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.432 3.093 . . . . 0.0 114.257 166.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.255 1.349 0 C-N-CA 129.311 3.045 . . . . 0.0 110.4 -157.802 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 120.688 0.28 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.89 129.72 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.208 1.003 . . . . 0.0 112.095 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -114.23 160.06 19.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.944 2.098 . . . . 0.0 112.624 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -108.98 135.47 50.11 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.426 1.49 . . . . 0.0 113.258 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -130.41 152.95 49.25 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.682 1.593 . . . . 0.0 111.368 168.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -147.05 126.46 13.15 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.335 -0.853 . . . . 0.0 111.383 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.26 147.88 49.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.78 1.632 . . . . 0.0 111.397 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -99.81 123.36 43.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.687 1.195 . . . . 0.0 108.992 162.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -123.32 135.67 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.977 1.311 . . . . 0.0 109.621 -172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.14 116.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.15 0.98 . . . . 0.0 109.812 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.1 mtm -137.96 125.05 21.47 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.661 1.184 . . . . 0.0 110.756 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -75.3 -45.83 37.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.794 1.238 . . . . 0.0 112.053 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -147.61 179.2 7.86 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -169.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -57.54 -24.42 55.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.741 1.616 . . . . 0.0 114.175 172.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.19 -28.45 56.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.398 -0.814 . . . . 0.0 112.21 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.16 -50.91 35.65 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.375 1.088 . . . . 0.0 111.016 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 p -67.98 -18.68 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.35 9.46 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.081 0.848 . . . . 0.0 111.509 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.22 81.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.7 0.8 . . . . 0.0 112.254 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.93 -45.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.27 0.628 . . . . 0.0 110.934 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -60.38 -37.79 81.87 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.013 0.824 . . . . 0.0 112.859 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -62.07 -45.0 95.46 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.469 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 63' ' ' THR . 10.1 t -65.14 -49.82 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 119.232 0.924 . . . . 0.0 111.817 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.71 -39.63 89.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.044 0.838 . . . . 0.0 112.383 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.7 m -60.91 -30.91 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.61 0.764 . . . . 0.0 112.234 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -60.56 -17.52 46.62 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.635 -1.29 . . . . 0.0 113.606 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -97.97 7.34 46.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.506 1.523 . . . . 0.0 114.23 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.66 -24.46 0.97 Allowed Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -59.08 -18.2 42.34 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 CA-C-N 121.874 1.705 . . . . 0.0 114.226 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -133.25 -18.5 2.26 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.022 1.329 . . . . 0.0 114.57 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -87.23 138.33 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.146 1.778 . . . . 0.0 109.923 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 p -114.81 -14.53 11.95 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -149.33 139.37 22.08 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.312 0.96 . . . . 0.0 112.824 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.8 mt -129.98 142.74 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.42 1.888 . . . . 0.0 108.627 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.18 110.32 5.0 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.372 -0.83 . . . . 0.0 112.244 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.84 144.97 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.78 1.232 . . . . 0.0 110.146 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 p -142.35 137.41 30.48 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.736 -1.227 . . . . 0.0 112.407 168.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.29 -50.44 7.85 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.49 -0.756 . . . . 0.0 110.931 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.46 -45.51 84.69 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.848 0.749 . . . . 0.0 111.792 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -96.57 0.9 50.72 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 59.91 19.78 8.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.127 2.171 . . . . 0.0 115.676 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.3 mt -94.69 149.08 21.61 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.401 1.096 . . . . 0.0 113.415 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.1 111.59 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.36 2.264 . . . . 0.0 107.875 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -106.75 130.21 54.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.16 1.384 . . . . 0.0 110.606 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.12 139.37 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.985 0.914 . . . . 0.0 111.291 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -125.46 124.96 42.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.195 1.398 . . . . 0.0 110.554 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -163.89 162.95 23.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.025 0.93 . . . . 0.0 112.842 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -86.0 -13.9 46.17 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.013 1.725 . . . . 0.0 113.351 163.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.41 145.17 97.35 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 119.819 1.19 . . . . 0.0 112.289 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.04 144.55 99.46 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.292 2.661 . . . . 0.0 113.026 173.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.77 -42.1 75.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.043 0.937 . . . . 0.0 112.198 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.12 -26.02 68.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.263 1.825 . . . . 0.0 113.29 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -81.34 -44.34 17.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.498 1.119 . . . . 0.0 110.913 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.67 -42.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -33.04 74.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.922 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.49 -29.54 64.94 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.398 1.454 . . . . 0.0 112.714 171.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -70.48 -43.2 70.26 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.418 -1.426 . . . . 0.0 112.084 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.89 -49.82 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.304 1.042 . . . . 0.0 110.468 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.09 -37.45 85.09 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.33 -0.856 . . . . 0.0 112.395 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.86 -14.3 21.12 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 25' ' ' VAL . 13.8 p -77.47 -16.52 58.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.775 1.17 . . . . 0.0 113.497 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.7 -16.05 43.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.386 1.469 . . . . 0.0 114.78 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -78.39 137.06 37.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.718 1.207 . . . . 0.0 111.196 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 161.48 30.9 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -113.98 136.98 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.955 1.702 . . . . 0.0 110.612 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.83 -37.3 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.417 1.087 . . . . 0.0 112.383 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.1 p -151.64 154.4 36.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.366 1.066 . . . . 0.0 111.528 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.16 127.12 2.32 Favored Glycine 0 N--CA 1.465 0.606 0 C-N-CA 124.357 0.98 . . . . 0.0 111.531 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -131.41 148.31 52.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.921 1.288 . . . . 0.0 112.139 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -117.16 131.56 56.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.426 2.69 . . . . 0.0 109.684 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.257 1.462 0 C-N-CA 124.86 1.264 . . . . 0.0 113.157 -169.392 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 179.85 147.81 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.419 3.087 . . . . 0.0 107.029 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.16 157.02 47.6 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 126.632 1.973 . . . . 0.0 110.352 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -159.03 142.17 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.476 1.11 . . . . 0.0 111.081 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mm -114.17 125.3 71.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.988 1.315 . . . . 0.0 107.843 170.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.18 144.29 40.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.665 0.666 . . . . 0.0 110.628 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.7 136.01 39.09 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 158.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.06 96.94 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -69.92 -22.55 63.19 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -152.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.8 -11.19 47.65 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-O 118.134 -1.37 . . . . 0.0 116.315 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm -85.16 140.39 30.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.033 1.917 . . . . 0.0 113.585 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -157.06 -17.47 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.17 1.388 . . . . 0.0 114.288 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.445 ' HB3' ' SG ' ' B' ' 16' ' ' CYS . 39.6 t -94.04 152.43 18.8 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.937 1.695 . . . . 0.0 114.215 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 18.2 m -73.94 -2.88 25.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.646 1.578 . . . . 0.0 113.859 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.01 -46.83 4.54 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.713 1.142 . . . . 0.0 112.153 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' B' ' 13' ' ' CYS . 82.4 m -56.87 -32.1 65.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.586 1.554 . . . . 0.0 113.385 179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -77.16 -35.28 56.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.489 1.516 . . . . 0.0 113.303 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -25.54 67.25 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.48 1.036 . . . . 0.0 112.027 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -47.53 -42.66 23.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.491 1.516 . . . . 0.0 111.51 172.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 122.867 0.467 . . . . 0.0 110.431 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.37 -48.99 73.39 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.67 -0.644 . . . . 0.0 111.874 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 57.8 m -55.07 -36.72 65.91 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.283 1.433 . . . . 0.0 113.359 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -45.18 18.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.354 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.93 -41.39 36.51 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.68 1.127 . . . . 0.0 113.656 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.2 -24.01 66.96 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.805 1.184 . . . . 0.0 112.879 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.1 45.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 113.914 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.08 164.84 12.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.68 1.592 . . . . 0.0 112.596 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -67.9 162.23 24.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.56 1.144 . . . . 0.0 112.66 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -46.61 1.84 Allowed Glycine 0 N--CA 1.478 1.444 0 O-C-N 120.184 -1.572 . . . . 0.0 114.876 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.53 130.29 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 127.187 2.195 . . . . 0.0 111.16 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.6 p -126.69 -29.78 2.85 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.59 119.64 5.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.859 0.864 . . . . 0.0 111.029 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 73.1 m -109.38 128.05 54.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.811 1.244 . . . . 0.0 110.925 169.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -142.55 172.82 12.18 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.688 1.595 . . . . 0.0 109.894 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.29 158.93 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.637 1.975 . . . . 0.0 111.627 -171.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.0 m -124.59 130.76 53.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.438 0.695 . . . . 0.0 110.688 157.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.4 -38.26 26.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.658 1.183 . . . . 0.0 114.131 -163.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -74.81 -35.66 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-N 119.242 0.928 . . . . 0.0 111.665 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.1 p -90.06 -11.39 41.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.231 1.413 . . . . 0.0 113.573 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 69.47 37.39 2.0 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.133 1.773 . . . . 0.0 111.912 173.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.81 140.81 48.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.327 1.051 . . . . 0.0 112.729 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.01 133.46 48.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.208 1.403 . . . . 0.0 110.151 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -121.91 102.78 8.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.532 1.533 . . . . 0.0 107.652 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.8 142.21 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 0.0 112.315 -170.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -122.82 133.11 54.46 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 127.257 2.223 . . . . 0.0 108.085 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -153.47 -144.6 0.15 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 111.961 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.86 159.01 9.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.461 2.704 . . . . 0.0 111.113 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.12 18.9 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.96 2.104 . . . . 0.0 115.129 -168.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.12 -18.19 53.69 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.088 0.955 . . . . 0.0 111.696 156.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.47 151.72 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.256 1.822 . . . . 0.0 109.398 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -114.56 143.4 45.05 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.132 0.973 . . . . 0.0 113.194 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.0 -25.11 57.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.236 1.014 . . . . 0.0 113.505 169.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -70.03 -17.58 63.27 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.765 1.226 . . . . 0.0 113.49 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -92.52 -32.58 14.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.714 0.806 . . . . 0.0 111.584 166.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -58.67 -39.51 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.883 -1.136 . . . . 0.0 110.404 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -69.61 13.99 0.12 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 126.425 1.89 . . . . 0.0 114.601 172.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -123.02 -46.54 2.08 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.514 1.926 . . . . 0.0 109.56 164.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.46 -46.16 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.65 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mt -68.5 -27.59 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.55 0.74 . . . . 0.0 111.925 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.3 -30.06 25.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.912 172.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -70.09 -16.99 63.2 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 112.951 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.9 m -67.3 -29.46 69.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.746 1.218 . . . . 0.0 112.755 163.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.39 23.85 4.32 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.898 1.713 . . . . 0.0 115.754 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -115.81 -154.93 0.56 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.508 1.654 . . . . 0.0 110.724 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.51 146.68 15.24 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.137 1.775 . . . . 0.0 109.26 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -157.46 169.58 24.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -155.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.53 144.57 12.33 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.807 2.043 . . . . 0.0 109.225 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.09 107.3 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.413 0.625 . . . . 0.0 110.002 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tp -83.76 -47.13 11.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.656 1.583 . . . . 0.0 109.029 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.32 143.19 33.91 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.926 1.691 . . . . 0.0 108.441 166.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -69.94 22.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 159.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.256 1.431 0 C-N-CA 128.593 2.757 . . . . 0.0 111.797 -168.692 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 121.066 0.46 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.89 143.92 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.281 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 147.49 40.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.861 2.064 . . . . 0.0 110.558 170.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.88 130.73 39.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.633 1.173 . . . . 0.0 110.896 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -127.79 154.32 45.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.94 1.296 . . . . 0.0 111.546 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -138.82 134.82 33.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 110.64 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -135.83 153.35 51.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.962 1.705 . . . . 0.0 112.248 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -109.89 119.58 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.373 1.469 . . . . 0.0 111.012 169.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.87 144.32 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.574 1.149 . . . . 0.0 110.905 -166.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -88.9 90.22 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.567 1.147 . . . . 0.0 109.229 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -87.3 -40.24 14.66 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.658 1.183 . . . . 0.0 113.185 -168.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m 71.41 -27.38 0.18 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 128.351 2.66 . . . . 0.0 114.264 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -133.95 159.59 40.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.786 2.834 . . . . 0.0 110.676 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -77.89 -19.93 53.86 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.934 -1.104 . . . . 0.0 113.249 174.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.34 -19.86 77.82 Favored Glycine 0 N--CA 1.473 1.133 0 CA-C-N 119.023 0.829 . . . . 0.0 113.16 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 t -47.47 -37.96 12.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.582 1.953 . . . . 0.0 113.239 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -58.54 -28.47 65.51 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.31 -34.24 26.58 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.042 0.837 . . . . 0.0 112.909 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.96 21.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.806 1.243 . . . . 0.0 112.783 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.97 -46.7 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.66 0.784 . . . . 0.0 109.916 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -53.32 -54.08 41.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.274 0.63 . . . . 0.0 111.411 171.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -57.54 -31.82 66.47 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.13 -41.47 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.496 1.498 . . . . 0.0 111.6 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.73 -32.87 23.25 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -59.76 -20.89 59.44 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.362 1.437 . . . . 0.0 114.053 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -52.64 -21.69 4.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.308 1.043 . . . . 0.0 113.247 171.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.45 37.14 3.66 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.748 2.019 . . . . 0.0 112.871 -167.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -50.54 -33.82 9.67 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -70.78 -10.27 27.42 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.335 2.023 . . . . 0.0 114.062 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -119.66 -32.01 4.4 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.637 1.575 . . . . 0.0 112.769 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.72 129.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 126.667 1.987 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.7 p -100.17 -33.72 10.33 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -157.13 143.03 17.74 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.91 137.0 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.824 1.65 . . . . 0.0 108.593 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -136.26 131.54 34.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.733 1.213 . . . . 0.0 111.529 172.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.47 130.44 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.775 1.23 . . . . 0.0 109.827 -171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.4 m -120.46 116.7 25.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.081 0.952 . . . . 0.0 111.522 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.84 155.87 27.64 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.955 0.902 . . . . 0.0 111.951 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 78.08 -46.9 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.37 3.068 . . . . 0.0 111.04 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -73.14 -16.19 61.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.715 1.206 . . . . 0.0 112.538 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 49.65 35.94 9.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.171 2.588 . . . . 0.0 115.193 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 mt -96.04 152.49 18.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.029 1.331 . . . . 0.0 112.297 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.3 t -131.52 129.77 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.816 1.647 . . . . 0.0 108.953 169.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.69 133.23 53.37 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.532 1.933 . . . . 0.0 109.096 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.11 147.1 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.584 1.154 . . . . 0.0 111.633 -170.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.15 125.47 33.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.807 1.643 . . . . 0.0 111.985 166.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -168.49 157.18 8.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.246 1.418 . . . . 0.0 112.278 -173.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.2 p -77.87 -17.13 57.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.96 1.304 . . . . 0.0 113.275 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.98 154.76 93.25 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.448 1.099 . . . . 0.0 112.757 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -64.76 157.83 54.0 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.974 3.116 . . . . 0.0 114.016 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -55.1 -51.68 65.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.754 1.221 . . . . 0.0 112.89 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.49 -31.27 71.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.097 0.959 . . . . 0.0 112.73 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.91 -36.66 83.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 110.915 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.4 -36.29 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.026 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.18 -46.43 72.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.244 1.384 . . . . 0.0 110.764 169.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.85 -51.93 67.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 118.016 -0.993 . . . . 0.0 112.709 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.2 -22.96 61.95 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.189 1.359 . . . . 0.0 114.155 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.04 -57.53 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.577 1.08 . . . . 0.0 109.201 161.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.91 -29.17 70.37 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 113.721 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -57.07 -25.15 58.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.2 p -60.08 -20.07 56.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.064 1.346 . . . . 0.0 113.866 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.76 72.42 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.931 1.729 . . . . 0.0 113.322 -168.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -77.11 145.39 37.84 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.64 1.22 . . . . 0.0 111.305 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 165.18 19.77 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.79 1.236 . . . . 0.0 110.63 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.22 130.14 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.811 1.244 . . . . 0.0 111.127 -173.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -95.17 -41.83 8.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -160.81 165.2 30.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.776 0.83 . . . . 0.0 111.558 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.1 163.23 12.81 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 115.325 0.89 . . . . 0.0 115.325 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -159.71 164.07 34.23 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.563 1.145 . . . . 0.0 113.839 -171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -71.05 147.97 48.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.413 1.085 . . . . 0.0 109.879 157.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--O 1.251 1.153 0 C-N-CA 124.791 1.237 . . . . 0.0 112.422 179.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.146 0.498 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -80.94 80.98 7.32 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.44 2.296 . . . . 0.0 112.368 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.17 128.89 37.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.604 1.162 . . . . 0.0 109.413 163.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 83.0 t -142.98 142.8 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.168 1.787 . . . . 0.0 108.963 -174.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.19 121.69 60.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.78 150.26 22.03 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.421 0.688 . . . . 0.0 109.371 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.62 138.73 33.22 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 157.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.8 118.6 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.678 1.991 . . . . 0.0 105.649 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -85.74 -57.2 3.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -159.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.42 52.37 4.65 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.693 1.14 . . . . 0.0 114.479 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptm -111.02 12.89 22.04 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -172.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -89.08 2.16 54.51 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -166.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 p -83.34 -113.73 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.546 1.138 . . . . 0.0 112.261 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.6 p -146.69 -95.24 0.09 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.14 70.35 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.943 1.297 . . . . 0.0 113.71 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.7 m -53.01 -28.17 22.82 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.681 1.592 . . . . 0.0 113.166 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -69.56 -41.5 75.81 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 121.224 -0.923 . . . . 0.0 112.196 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 117.455 -1.259 . . . . 0.0 110.178 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.9 m -57.58 -30.6 65.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.059 1.3 . . . . 0.0 111.761 173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.07 -54.31 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.527 1.058 . . . . 0.0 110.071 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -53.63 -50.92 64.66 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.876 0.762 . . . . 0.0 111.869 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -44.58 -48.92 10.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 113.051 171.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -84.15 -29.03 27.01 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.06 -44.33 9.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.63 1.104 . . . . 0.0 113.631 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.14 -19.94 65.64 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.442 1.474 . . . . 0.0 112.842 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.21 -10.66 60.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.744 1.618 . . . . 0.0 114.901 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -78.72 121.55 24.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.391 1.077 . . . . 0.0 111.191 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -58.46 111.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 110.946 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.86 -27.25 6.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.687 2.089 . . . . 0.0 113.945 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.35 139.25 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.402 1.601 . . . . 0.0 109.417 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -110.63 -37.26 5.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 118.186 -0.911 . . . . 0.0 113.085 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -147.23 157.28 43.54 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.79 1.236 . . . . 0.0 112.97 -167.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.8 m -158.05 127.51 5.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.21 1.804 . . . . 0.0 112.94 -170.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.23 174.81 13.8 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.181 1.793 . . . . 0.0 111.114 168.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.38 166.88 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.499 -1.375 . . . . 0.0 113.737 -167.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -138.89 103.01 4.7 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.035 1.334 . . . . 0.0 112.072 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.05 -26.74 66.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.0 -36.16 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.117 . . . . 0.0 111.398 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -100.73 -3.95 29.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.574 -176.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.451 0.0 OUTLIER 69.76 28.23 4.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.804 2.842 . . . . 0.0 114.756 177.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -106.39 154.77 20.32 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.561 1.544 . . . . 0.0 113.812 -171.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 89.2 m -129.47 128.16 42.34 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.432 1.493 . . . . 0.0 111.042 166.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -97.18 93.74 6.72 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.833 2.053 . . . . 0.0 107.935 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -106.02 150.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 125.639 1.576 . . . . 0.0 111.554 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -141.97 125.04 16.26 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.951 0.901 . . . . 0.0 109.577 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -150.23 -157.98 0.87 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.334 1.054 . . . . 0.0 111.778 -172.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -151.16 169.43 21.9 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 129.59 3.156 . . . . 0.0 111.074 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.52 -23.5 10.64 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.377 2.271 . . . . 0.0 116.51 -162.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.5 -12.6 61.68 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.602 1.561 . . . . 0.0 115.153 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -122.79 154.77 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.264 2.226 . . . . 0.0 108.956 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -152.04 146.42 25.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 111.484 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.94 58.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.896 1.278 . . . . 0.0 113.184 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.59 -32.83 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.151 0.98 . . . . 0.0 112.972 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -87.73 -34.62 18.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.011 0.524 . . . . 0.0 111.695 173.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.55 -38.85 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.084 -1.01 . . . . 0.0 110.145 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -56.13 -14.88 3.0 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.869 . . . . 0.0 115.109 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.62 -40.23 7.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.575 1.55 . . . . 0.0 109.755 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.51 -51.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.279 1.432 . . . . 0.0 111.682 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 7.0 tt -78.08 -27.14 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.646 0.779 . . . . 0.0 112.005 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -68.39 -36.32 78.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.482 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -2.87 54.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.1 -13.65 59.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.796 0.839 . . . . 0.0 112.936 159.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.78 12.28 30.57 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.446 1.498 . . . . 0.0 115.782 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -100.16 -162.38 0.94 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.089 1.445 . . . . 0.0 110.657 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -162.05 142.14 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.257 2.623 . . . . 0.0 105.23 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -168.03 176.66 6.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -146.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.71 157.88 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.389 1.876 . . . . 0.0 110.442 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 tt -78.86 113.65 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 166.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -60.64 2.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -158.55 138.55 12.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.981 1.312 . . . . 0.0 111.517 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -69.02 78.26 0.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.092 1.357 . . . . 0.0 109.415 147.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.566 1.946 . . . . 0.0 113.474 -179.726 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.81 131.04 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 122.125 0.965 . . . . 0.0 109.439 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -115.74 153.71 30.89 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.184 2.193 . . . . 0.0 110.346 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -124.82 140.73 52.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.458 1.103 . . . . 0.0 111.503 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -145.74 144.76 30.54 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 125.152 1.381 . . . . 0.0 110.718 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -131.49 127.64 37.72 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.676 1.19 . . . . 0.0 110.048 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -121.7 144.77 48.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.703 2.001 . . . . 0.0 110.127 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.84 126.21 51.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.411 1.085 . . . . 0.0 109.491 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 t -148.42 137.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.336 1.454 . . . . 0.0 109.165 -163.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.76 127.08 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.9 mtm -138.7 124.42 19.72 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.602 0.761 . . . . 0.0 111.373 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -97.47 -158.28 0.65 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.723 1.609 . . . . 0.0 109.977 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -84.04 -141.65 0.07 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.938 1.295 . . . . 0.0 114.089 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 m -57.8 -38.49 75.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.331 1.852 . . . . 0.0 115.671 -156.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 -38.76 25.76 Favored Glycine 0 N--CA 1.473 1.138 0 CA-C-N 120.083 1.31 . . . . 0.0 111.991 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.92 -49.28 76.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.672 0.789 . . . . 0.0 110.623 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -57.73 -40.59 79.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.559 1.144 . . . . 0.0 113.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.72 -27.66 64.59 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.217 0.913 . . . . 0.0 113.565 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.58 -52.58 10.27 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.478 1.139 . . . . 0.0 111.773 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.95 -35.11 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.003 1.321 . . . . 0.0 110.858 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.67 -62.55 1.45 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.958 0.503 . . . . 0.0 111.906 168.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -56.75 -40.9 76.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 t -69.79 -28.17 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.32 0.964 . . . . 0.0 111.314 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.15 -27.18 14.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -58.62 -28.29 65.51 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.394 1.907 . . . . 0.0 113.911 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.67 -20.57 34.66 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.862 1.265 . . . . 0.0 113.316 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -93.93 -3.14 52.18 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.163 1.385 . . . . 0.0 114.432 -175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -54.22 -28.38 3.7 Favored Pre-proline 0 N--CA 1.473 0.697 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.37 -24.58 69.06 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 122.189 1.818 . . . . 0.0 113.551 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -114.89 -25.4 8.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.129 1.372 . . . . 0.0 113.313 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.55 115.04 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.994 1.717 . . . . 0.0 109.812 176.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -40.32 43.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.261 0.624 . . . . 0.0 112.297 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -152.11 119.81 6.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.7 mt -90.51 132.58 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.82 1.248 . . . . 0.0 108.712 157.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -128.33 114.0 16.32 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.363 1.065 . . . . 0.0 110.52 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.7 mt -98.57 124.96 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.268 1.427 . . . . 0.0 109.86 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -115.85 83.5 1.95 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.059 1.344 . . . . 0.0 110.47 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -55.19 -48.2 74.16 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.183 1.793 . . . . 0.0 112.722 -173.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -62.32 -48.57 79.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.421 1.089 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -66.8 -18.25 65.28 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.793 0.837 . . . . 0.0 113.199 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 72.25 21.19 3.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.606 2.362 . . . . 0.0 111.808 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.92 149.45 27.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 122.363 1.078 . . . . 0.0 113.029 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.39 129.64 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 113.386 -1.734 . . . . 0.0 108.204 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.9 127.28 45.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.977 1.311 . . . . 0.0 110.343 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.17 136.44 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.554 0.742 . . . . 0.0 111.33 -170.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -113.4 124.35 52.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.381 1.873 . . . . 0.0 111.282 167.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -168.12 165.28 13.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.462 1.105 . . . . 0.0 112.386 -173.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -79.48 -19.87 48.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.932 1.693 . . . . 0.0 112.794 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.46 156.21 90.51 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.472 1.909 . . . . 0.0 112.482 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.35 158.62 14.88 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.553 2.836 . . . . 0.0 112.963 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -48.19 -49.88 31.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.559 1.943 . . . . 0.0 113.515 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.11 -35.23 80.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 112.611 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.36 -41.9 75.94 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.741 -0.599 . . . . 0.0 111.877 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.87 -45.78 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.906 0.882 . . . . 0.0 111.138 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.35 -32.93 74.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.474 -0.774 . . . . 0.0 112.401 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.46 -43.56 98.52 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.203 0.91 . . . . 0.0 112.535 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -67.89 -30.55 69.94 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.732 1.151 . . . . 0.0 113.049 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.11 -55.04 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.693 0.678 . . . . 0.0 110.168 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -57.08 -35.21 69.11 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.197 1.399 . . . . 0.0 112.703 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -54.08 -21.43 8.47 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.206 1.802 . . . . 0.0 114.753 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -65.04 -29.19 70.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.152 1.381 . . . . 0.0 114.538 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.74 1.41 56.34 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -93.29 161.08 14.54 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.996 1.398 . . . . 0.0 112.028 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.16 139.42 35.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.615 1.566 . . . . 0.0 112.121 -168.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -112.34 128.81 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.675 1.59 . . . . 0.0 108.63 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -105.09 -38.92 6.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -158.39 173.19 17.03 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.497 1.044 . . . . 0.0 112.404 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.12 162.93 20.01 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.832 1.093 . . . . 0.0 115.832 164.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -173.52 -173.34 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.597 1.959 . . . . 0.0 112.864 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 166.09 16.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.584 1.954 . . . . 0.0 113.083 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.063 1.745 . . . . 0.0 111.693 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -154.43 136.68 14.85 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.494 2.318 . . . . 0.0 107.812 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -96.18 161.79 13.81 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 127.071 2.148 . . . . 0.0 113.604 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.91 138.14 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.405 1.882 . . . . 0.0 109.221 168.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.7 mm -122.0 125.39 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.67 140.42 48.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.6 0.76 . . . . 0.0 110.901 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.55 118.25 30.44 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.58 105.65 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.84 1.256 . . . . 0.0 108.678 -169.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -70.5 -15.38 62.79 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -161.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.09 2.68 61.63 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.499 1.523 . . . . 0.0 115.343 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtm -71.82 150.85 43.93 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.745 1.773 . . . . 0.0 113.058 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -139.48 -54.82 0.57 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.338 1.455 . . . . 0.0 113.607 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -155.77 -100.98 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -154.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.9 p -158.41 141.6 14.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 128.472 2.709 . . . . 0.0 110.273 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 72.37 -52.22 0.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.95 2.5 . . . . 0.0 112.08 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -50.31 -22.09 1.66 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.669 2.387 . . . . 0.0 113.804 167.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -100.65 -41.73 6.81 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 128.048 2.539 . . . . 0.0 112.912 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -1.65 21.72 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.054 1.297 . . . . 0.0 113.126 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -48.17 -46.46 34.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.024 1.33 . . . . 0.0 110.9 153.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.12 -48.35 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.851 0.861 . . . . 0.0 110.187 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -55.15 -51.03 67.79 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.091 0.859 . . . . 0.0 111.663 170.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 51.9 m -52.7 -39.06 61.62 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.399 1.08 . . . . 0.0 112.79 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -85.84 -50.14 7.36 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.3 -44.0 72.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.503 1.047 . . . . 0.0 112.374 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -26.76 68.05 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.678 1.126 . . . . 0.0 112.187 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.96 -10.95 59.96 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -72.72 127.31 32.18 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.356 0.98 . . . . 0.0 110.393 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.65 108.33 0.38 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.2 -17.9 21.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.539 1.542 . . . . 0.0 115.06 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.76 134.48 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.631 1.716 . . . . 0.0 109.255 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -121.48 -31.23 4.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -147.33 143.74 28.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.229 1.411 . . . . 0.0 111.456 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 60.0 m -142.95 119.93 11.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.696 1.199 . . . . 0.0 111.768 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.44 168.43 12.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.692 1.997 . . . . 0.0 111.155 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.6 139.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.346 1.859 . . . . 0.0 113.203 -167.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 m -142.53 166.67 24.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.506 1.522 . . . . 0.0 112.232 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.32 29.84 7.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 112.81 -170.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -93.71 -54.96 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 120.982 -1.074 . . . . 0.0 109.568 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.03 -7.64 39.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.004 1.721 . . . . 0.0 110.996 161.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 70.34 50.72 0.4 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.532 2.333 . . . . 0.0 109.332 -163.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.44 139.63 30.53 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.685 1.594 . . . . 0.0 113.355 -170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -106.34 134.43 49.48 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.469 1.508 . . . . 0.0 109.913 166.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -115.72 95.56 5.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.766 1.626 . . . . 0.0 108.001 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.61 142.2 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.214 1.405 . . . . 0.0 111.113 -171.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 68.2 m -126.83 131.74 51.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.692 1.997 . . . . 0.0 108.444 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.15 -164.27 1.98 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.332 1.063 . . . . 0.0 110.955 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -171.25 167.89 6.84 Favored 'General case' 0 CA--C 1.546 0.791 1 C-N-CA 132.968 4.507 . . . . 0.0 108.784 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 84.53 158.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.906 2.882 . . . . 0.0 113.213 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -44.16 -26.71 0.33 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.356 3.062 . . . . 0.0 117.491 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 p -48.16 145.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 127.253 2.221 . . . . 0.0 112.947 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -112.46 146.86 37.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.06 1.744 . . . . 0.0 112.591 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.78 58.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.114 0.965 . . . . 0.0 112.574 170.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.61 -20.88 66.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.127 1.371 . . . . 0.0 112.899 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -83.93 -38.08 21.5 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.959 -1.088 . . . . 0.0 111.475 168.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.48 -39.01 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.274 -0.891 . . . . 0.0 109.997 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.33 -4.01 0.12 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 128.956 2.902 . . . . 0.0 115.644 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -126.08 -39.18 2.1 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.613 1.965 . . . . 0.0 110.154 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.75 -39.42 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.117 -0.99 . . . . 0.0 111.234 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 tp -61.52 -25.86 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.137 -0.977 . . . . 0.0 112.238 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.61 -26.8 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -73.74 -21.57 60.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.782 0.719 . . . . 0.0 112.911 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 58.9 m -74.67 -13.93 60.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.651 0.78 . . . . 0.0 112.685 164.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.55 25.59 15.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.573 1.082 . . . . 0.0 115.149 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -123.56 -155.04 0.64 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.201 1.401 . . . . 0.0 109.872 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -168.53 158.95 9.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.98 2.112 . . . . 0.0 110.78 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -150.36 -173.27 4.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.754 1.222 . . . . 0.0 112.409 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -133.54 25.66 4.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.752 0.821 . . . . 0.0 110.107 162.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . 0.517 HG22 ' H ' ' B' ' 69' ' ' LEU 0.34 41.8 mm 49.98 -155.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -147.069 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.517 ' H ' HG22 ' B' ' 68' ' ' ILE 0.274 0.1 OUTLIER -154.83 -43.25 0.09 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.123 1.369 . . . . 0.0 111.146 163.634 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -167.41 146.03 4.89 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 122.726 1.25 . . . . 0.0 111.537 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.08 28.46 0.51 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.519 2.327 . . . . 0.0 113.128 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.489 1.477 0 C-N-CA 130.26 3.424 . . . . 0.0 111.651 -173.147 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.9 mt 57.02 123.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 128.871 2.869 . . . . 0.0 112.838 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -96.43 149.94 21.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.698 -1.251 . . . . 0.0 110.884 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.71 138.16 44.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.844 1.258 . . . . 0.0 109.261 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -138.17 153.57 49.19 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 125.081 1.353 . . . . 0.0 110.706 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -143.79 133.87 24.23 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.972 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -126.65 142.02 51.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.121 1.368 . . . . 0.0 111.048 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.06 121.18 31.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.509 1.524 . . . . 0.0 108.718 167.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 135.82 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.204 1.002 . . . . 0.0 109.708 -165.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.14 119.77 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.271 0.628 . . . . 0.0 110.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -145.34 107.1 4.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.86 0.864 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.4 m -63.1 -56.81 13.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.641 0.776 . . . . 0.0 111.05 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.75 175.2 9.02 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.543 1.537 . . . . 0.0 113.591 -162.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.89 -5.79 40.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.364 -0.835 . . . . 0.0 112.449 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 -28.64 43.47 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.889 1.709 . . . . 0.0 112.771 166.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.39 -55.42 15.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.464 1.632 . . . . 0.0 110.362 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.22 -34.71 75.55 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -41.26 94.9 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.209 -0.773 . . . . 0.0 112.959 175.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.38 70.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.576 1.15 . . . . 0.0 111.777 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.9 -49.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.17 -43.81 87.64 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.744 -0.597 . . . . 0.0 112.326 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.01 -30.14 70.63 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.728 1.149 . . . . 0.0 113.725 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.62 -43.35 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.277 -0.889 . . . . 0.0 111.388 167.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.08 -21.96 29.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 p -59.39 -24.64 63.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.954 1.706 . . . . 0.0 112.774 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.61 -15.08 24.53 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.499 1.12 . . . . 0.0 113.483 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.9 mt -109.98 5.64 22.46 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.968 1.707 . . . . 0.0 114.555 -173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.09 -28.85 2.45 Favored Pre-proline 0 N--CA 1.477 0.889 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -62.06 -16.9 53.17 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 CA-C-N 121.849 1.696 . . . . 0.0 114.975 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.42 -31.62 2.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.165 1.386 . . . . 0.0 113.098 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.84 125.45 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.69 1.596 . . . . 0.0 109.25 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -91.82 -39.41 11.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -154.48 120.43 5.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.653 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.2 mt -108.3 136.93 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.013 1.325 . . . . 0.0 108.861 171.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -144.51 122.55 12.1 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.647 -0.658 . . . . 0.0 111.822 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -98.96 142.25 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.551 0.691 . . . . 0.0 111.066 -174.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -121.06 85.98 2.5 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.256 1.823 . . . . 0.0 108.495 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.64 -34.88 76.49 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.166 0.987 . . . . 0.0 113.656 -168.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.82 -49.5 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.038 0.835 . . . . 0.0 110.795 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.27 7.54 9.29 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.363 1.065 . . . . 0.0 113.785 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 56.06 37.04 28.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.735 1.614 . . . . 0.0 114.739 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.275 3.8 pp -130.93 158.53 39.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.88 129.87 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.79 1.636 . . . . 0.0 109.653 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.29 131.95 51.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.054 1.742 . . . . 0.0 111.184 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.2 141.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.956 1.303 . . . . 0.0 110.611 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.59 129.74 53.04 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.689 1.596 . . . . 0.0 109.693 163.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -169.34 161.14 9.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.091 0.956 . . . . 0.0 113.202 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.6 p -72.75 -27.26 61.92 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.406 2.282 . . . . 0.0 112.987 164.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.14 150.58 97.38 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.448 1.499 . . . . 0.0 113.062 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.71 153.71 30.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.31 2.673 . . . . 0.0 112.74 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -50.94 -46.48 60.98 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.95 1.7 . . . . 0.0 113.048 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.37 -44.83 92.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.44 1.496 . . . . 0.0 112.499 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.43 -31.42 69.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.865 0.466 . . . . 0.0 111.972 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.92 -43.31 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.568 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.14 -49.1 64.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.323 0.965 . . . . 0.0 110.825 171.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.8 -53.05 62.09 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.552 1.141 . . . . 0.0 112.913 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.67 -30.98 71.79 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.267 1.394 . . . . 0.0 113.344 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.51 -56.23 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.429 1.013 . . . . 0.0 109.7 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -60.94 -32.37 71.89 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -53.16 -24.16 9.98 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 172.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.6 p -63.87 -23.01 67.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.15 87.15 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.906 1.241 . . . . 0.0 113.928 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -87.36 143.83 27.06 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.269 1.035 . . . . 0.0 109.86 162.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -84.8 142.87 29.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.831 0.853 . . . . 0.0 112.018 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.14 126.62 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.679 1.192 . . . . 0.0 109.571 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 mtp-105 -93.26 -42.91 9.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.503 1.121 . . . . 0.0 112.633 -171.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 p -165.41 167.9 17.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.82 1.248 . . . . 0.0 111.824 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.79 159.94 23.96 Favored Glycine 0 C--N 1.343 0.917 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -135.27 160.21 39.12 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 113.71 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -93.21 127.46 38.79 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.375 1.47 . . . . 0.0 109.476 163.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.249 1.078 0 C-N-CA 125.194 1.398 . . . . 0.0 112.304 -168.359 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -173.31 159.99 3.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.301 2.24 . . . . 0.0 106.889 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -134.61 153.33 52.02 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 127.099 2.16 . . . . 0.0 110.566 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -169.74 130.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 110.917 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.437 HG22 HD23 ' B' ' 69' ' ' LEU . 17.4 mt -107.76 124.08 63.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 163.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -116.91 142.25 47.19 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.588 0.755 . . . . 0.0 110.335 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 142.98 40.07 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.44 98.48 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -76.58 -6.39 51.73 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -155.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.71 4.03 29.16 Favored Glycine 0 N--CA 1.469 0.838 0 CA-C-O 118.197 -1.335 . . . . 0.0 115.632 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.94 136.95 36.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.197 1.998 . . . . 0.0 112.573 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.5 m -140.54 -39.25 0.43 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 111.674 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -114.07 164.13 14.24 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -163.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.4 m -78.77 2.29 20.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.295 1.438 . . . . 0.0 114.131 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.04 -59.62 1.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.165 0.893 . . . . 0.0 110.791 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.97 -18.28 62.63 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -170.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -67.91 -51.99 41.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.771 1.229 . . . . 0.0 111.616 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -19.68 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.846 1.203 . . . . 0.0 112.089 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -56.78 -35.22 68.44 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.235 0.925 . . . . 0.0 110.785 166.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.15 -53.61 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.399 1.0 . . . . 0.0 109.571 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -55.6 -46.81 77.26 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.173 0.897 . . . . 0.0 112.987 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -59.63 -41.77 91.22 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.557 1.072 . . . . 0.0 112.913 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.55 -31.13 62.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.973 1.26 . . . . 0.0 112.964 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.73 -45.02 69.11 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.738 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -49.42 -26.42 3.27 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.86 55.05 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.77 7.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 -167.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt 43.46 25.45 0.08 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.369 2.667 . . . . 0.0 116.61 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.19 -21.66 0.17 Allowed Glycine 0 N--CA 1.472 1.059 0 C-N-CA 125.165 1.364 . . . . 0.0 116.138 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -77.64 136.03 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.784 1.792 . . . . 0.0 109.254 172.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -110.46 -30.26 7.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.212 1.405 . . . . 0.0 112.398 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -157.34 147.37 20.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.283 1.833 . . . . 0.0 109.84 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.86 148.94 28.42 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.7 172.24 13.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.084 1.754 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -143.25 144.4 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 127.326 2.25 . . . . 0.0 109.113 -172.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 42.6 m -129.48 115.7 17.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.02 0.528 . . . . 0.0 110.573 162.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.14 -32.94 67.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.265 1.426 . . . . 0.0 114.432 -173.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.99 -37.0 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.087 0.858 . . . . 0.0 111.037 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.2 p -87.14 -19.86 27.88 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.565 1.546 . . . . 0.0 112.715 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.73 37.22 0.31 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.851 2.46 . . . . 0.0 112.23 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -118.6 152.22 36.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.708 1.603 . . . . 0.0 113.605 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 80.4 m -113.52 133.71 55.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.492 1.517 . . . . 0.0 110.026 166.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -114.45 94.24 4.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.142 1.777 . . . . 0.0 108.348 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.0 132.67 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.752 1.621 . . . . 0.0 111.547 -165.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 83.4 m -128.61 115.79 18.62 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.81 1.644 . . . . 0.0 108.136 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -135.06 -157.01 0.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.084 1.354 . . . . 0.0 112.309 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.58 163.39 19.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.294 2.238 . . . . 0.0 112.193 -160.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -6.42 2.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.413 2.285 . . . . 0.0 116.269 -165.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.31 -4.72 54.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.464 1.105 . . . . 0.0 113.091 168.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -149.05 163.29 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.496 1.498 . . . . 0.0 112.129 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.6 p -127.98 152.87 47.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.768 1.627 . . . . 0.0 112.238 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.29 69.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.73 0.812 . . . . 0.0 112.767 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.58 -35.09 78.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.72 0.808 . . . . 0.0 111.46 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 63.0 m -69.75 -39.52 76.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.835 0.854 . . . . 0.0 111.786 171.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.81 -44.78 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.554 -0.716 . . . . 0.0 109.792 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.87 11.81 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.257 2.223 . . . . 0.0 115.147 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -134.75 -42.53 0.75 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.275 1.83 . . . . 0.0 109.188 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 mm -53.32 -46.72 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.844 1.258 . . . . 0.0 112.251 165.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.81 -25.7 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.037 0.935 . . . . 0.0 112.194 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -74.25 -36.55 63.87 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -78.19 -0.8 29.85 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 170.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 95.8 m -85.0 -12.66 52.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.873 0.869 . . . . 0.0 113.219 166.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.95 22.46 9.33 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.42 -160.24 0.82 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.076 1.35 . . . . 0.0 111.18 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -154.67 154.64 33.26 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 129.154 2.982 . . . . 0.0 107.911 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.45 170.13 23.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -156.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -155.4 144.02 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.183 1.393 . . . . 0.0 109.312 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 tt -77.41 103.58 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.437 HD23 HG22 ' B' ' 5' ' ' ILE . 0.4 OUTLIER -85.3 -53.53 5.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.341 1.857 . . . . 0.0 110.078 -158.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -151.74 136.25 16.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.483 1.913 . . . . 0.0 108.138 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.06 15.0 0.6 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.485 1.317 0 C-N-CA 127.671 2.389 . . . . 0.0 114.051 -171.359 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -69.8 129.24 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.675 0.75 . . . . 0.0 110.542 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -106.54 153.46 22.29 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.271 2.228 . . . . 0.0 111.184 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.96 134.79 48.51 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 111.548 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -128.32 146.87 50.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.968 1.307 . . . . 0.0 110.859 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -136.41 131.1 33.7 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.821 0.849 . . . . 0.0 111.183 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -127.84 142.01 51.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.405 1.482 . . . . 0.0 110.94 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -105.67 122.69 46.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.675 1.59 . . . . 0.0 108.196 168.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.71 144.08 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.388 0.994 . . . . 0.0 111.044 -159.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.46 120.76 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.0 0.92 . . . . 0.0 109.988 171.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.84 97.45 2.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.418 1.087 . . . . 0.0 111.359 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -64.7 -41.67 95.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.189 1.796 . . . . 0.0 113.809 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -157.91 178.03 10.68 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.205 1.402 . . . . 0.0 113.621 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -66.41 -12.31 56.38 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.103 0.961 . . . . 0.0 113.519 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.26 -30.64 10.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.772 1.653 . . . . 0.0 112.797 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -64.36 -52.07 60.16 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.288 1.035 . . . . 0.0 110.751 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -60.09 -39.65 86.87 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.727 -0.608 . . . . 0.0 112.045 171.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.03 95.75 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.033 0.833 . . . . 0.0 113.521 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -46.08 69.37 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.069 0.934 . . . . 0.0 112.025 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -58.84 -44.65 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.678 -0.639 . . . . 0.0 110.498 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.51 -37.19 75.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.582 1.153 . . . . 0.0 112.586 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.99 -30.01 71.27 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.005 -1.06 . . . . 0.0 112.964 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 t -71.29 -56.72 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.194 0.906 . . . . 0.0 110.98 169.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.93 -29.56 69.46 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -62.91 -18.62 63.28 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.606 1.162 . . . . 0.0 113.874 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.15 -10.52 54.78 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.868 -1.145 . . . . 0.0 113.415 172.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.96 6.62 31.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.339 1.456 . . . . 0.0 113.68 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -54.44 -21.93 0.65 Allowed Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -62.74 -21.17 72.77 Favored 'Trans proline' 0 C--N 1.353 0.796 0 CA-C-N 122.768 2.024 . . . . 0.0 113.582 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -122.68 -29.71 3.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.411 1.484 . . . . 0.0 113.055 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.96 120.31 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.791 1.637 . . . . 0.0 109.626 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -83.04 -41.93 18.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -151.15 131.22 13.45 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.76 138.4 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.345 2.258 . . . . 0.0 110.003 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -142.83 110.47 5.82 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.099 0.959 . . . . 0.0 112.098 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.74 129.01 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.386 1.474 . . . . 0.0 110.509 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -120.44 100.01 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.221 1.408 . . . . 0.0 112.308 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.57 148.87 38.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.96 1.304 . . . . 0.0 110.791 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 75.27 -41.86 0.46 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.954 2.502 . . . . 0.0 110.876 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.76 -30.02 68.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.863 1.665 . . . . 0.0 112.763 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 79.89 8.96 1.5 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.363 2.665 . . . . 0.0 113.572 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.72 154.65 18.14 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.116 -0.99 . . . . 0.0 113.427 -169.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.39 132.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.395 1.878 . . . . 0.0 108.884 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.76 129.13 54.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.799 1.64 . . . . 0.0 110.421 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -130.51 143.63 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.633 1.173 . . . . 0.0 111.266 -173.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.02 129.64 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.448 1.499 . . . . 0.0 111.578 166.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 t -170.12 163.76 9.18 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.508 1.123 . . . . 0.0 112.827 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.9 p -86.37 -13.47 46.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.462 1.905 . . . . 0.0 113.335 167.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.81 150.43 96.38 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.026 0.93 . . . . 0.0 112.983 -172.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.75 143.24 81.2 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.668 2.912 . . . . 0.0 112.82 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.0 -45.92 90.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.97 0.908 . . . . 0.0 112.328 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.57 -29.67 70.69 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -67.83 -38.26 82.99 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.483 0.583 . . . . 0.0 111.139 174.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.37 -41.27 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.445 -0.785 . . . . 0.0 111.493 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.13 -49.5 75.74 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.089 0.858 . . . . 0.0 110.913 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.53 -39.46 87.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.898 0.879 . . . . 0.0 112.908 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -68.61 -27.49 66.08 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.042 -1.037 . . . . 0.0 112.876 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -81.99 -55.98 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.453 1.101 . . . . 0.0 110.88 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.25 -41.94 72.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.93 1.292 . . . . 0.0 112.528 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.02 8.57 3.7 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -74.13 -13.13 60.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 167.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -0.6 78.46 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.464 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.58 151.49 19.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.527 1.164 . . . . 0.0 109.319 162.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -93.29 140.89 29.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.782 -0.574 . . . . 0.0 111.976 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 p -94.11 110.42 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.662 1.185 . . . . 0.0 108.327 169.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.0 -37.31 86.95 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.6 1.96 . . . . 0.0 111.497 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -169.7 144.69 2.93 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.287 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.44 144.32 15.18 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 125.585 1.564 . . . . 0.0 112.883 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -144.86 147.53 32.91 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.96 126.51 34.76 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 126.207 1.803 . . . . 0.0 109.76 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.001 1.32 . . . . 0.0 111.951 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.443 0.163 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.17 89.58 1.52 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 127.692 2.397 . . . . 0.0 109.601 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.62 140.73 56.13 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.667 1.187 . . . . 0.0 110.392 163.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 85.2 t -153.95 133.77 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.229 2.212 . . . . 0.0 108.662 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.405 HG22 HD23 ' B' ' 69' ' ' LEU . 18.6 mm -119.39 128.44 75.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 124.811 1.245 . . . . 0.0 107.859 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.0 145.01 50.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.156 0.583 . . . . 0.0 111.07 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.57 148.13 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.349 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 t -137.55 110.07 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.96 1.304 . . . . 0.0 109.361 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -99.82 70.38 1.62 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.94 1.296 . . . . 0.0 112.458 -168.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.44 37.26 0.03 OUTLIER Glycine 0 N--CA 1.475 1.275 0 N-CA-C 116.237 1.255 . . . . 0.0 116.237 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.2 mtp -68.39 -37.61 80.54 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -165.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.506 HG23 ' H ' ' B' ' 13' ' ' CYS 0.405 5.9 t 54.97 -124.68 2.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.57 2.348 . . . . 0.0 115.546 170.206 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.506 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 m -79.97 172.45 13.76 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -154.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -64.7 -34.94 79.48 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.728 1.211 . . . . 0.0 113.604 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.26 -40.86 15.11 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 112.329 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.8 -40.27 69.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.52 1.928 . . . . 0.0 113.544 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.72 -45.09 94.38 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 125.609 1.564 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.83 46.4 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.223 0.92 . . . . 0.0 113.336 -173.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -49.69 -36.02 23.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.252 1.021 . . . . 0.0 110.655 165.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 86.2 mt -57.75 -52.32 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.525 0.73 . . . . 0.0 110.396 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.64 -50.67 72.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 112.193 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -53.22 -36.92 61.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.402 1.081 . . . . 0.0 112.934 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.67 -54.55 4.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.614 0.766 . . . . 0.0 112.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.1 -41.28 74.25 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.161 0.891 . . . . 0.0 112.501 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -71.71 1.14 7.25 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -0.08 33.65 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.339 1.855 . . . . 0.0 114.489 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -83.1 3.9 28.61 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 69.07 155.01 0.12 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 128.673 2.789 . . . . 0.0 113.43 -173.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 -32.56 0.62 Allowed Glycine 0 N--CA 1.48 1.588 0 C-N-CA 126.616 2.055 . . . . 0.0 114.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 p -43.85 129.36 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 128.608 2.763 . . . . 0.0 113.289 167.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -112.08 -38.78 4.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.079 1.352 . . . . 0.0 112.462 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.77 153.43 43.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.684 1.593 . . . . 0.0 111.45 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -159.46 100.13 1.48 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.473 1.509 . . . . 0.0 109.114 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.68 171.99 7.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.301 1.841 . . . . 0.0 110.385 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -143.09 166.44 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.18 1.792 . . . . 0.0 111.809 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 41.8 t -145.71 129.36 17.09 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.096 0.959 . . . . 0.0 111.044 163.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.98 -39.72 63.47 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.904 0.882 . . . . 0.0 111.888 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.28 -36.01 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.993 0.815 . . . . 0.0 111.733 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -112.5 10.99 19.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.363 1.065 . . . . 0.0 113.529 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 49.6 52.71 14.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.789 2.436 . . . . 0.0 114.236 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -135.48 156.7 48.47 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.85 134.37 54.4 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.051 1.74 . . . . 0.0 109.125 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -113.83 96.63 5.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.151 1.78 . . . . 0.0 107.152 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.76 133.82 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.145 0.978 . . . . 0.0 112.115 -171.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.5 m -133.37 138.08 46.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.308 1.443 . . . . 0.0 108.659 -164.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -156.93 131.19 8.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.804 1.241 . . . . 0.0 110.57 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.64 -47.95 79.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.473 1.109 . . . . 0.0 111.179 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -169.95 -150.49 0.08 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.459 2.304 . . . . 0.0 110.505 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 65.26 -35.34 0.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 131.493 3.917 . . . . 0.0 116.059 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.01 162.95 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.501 1.92 . . . . 0.0 110.843 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -132.66 145.09 50.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.7 2.0 . . . . 0.0 110.939 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.92 -30.46 61.68 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.094 1.358 . . . . 0.0 113.392 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.19 -38.73 92.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.455 0.702 . . . . 0.0 112.39 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.7 m -72.72 -39.22 67.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.731 0.412 . . . . 0.0 110.98 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 85.8 mt -56.66 -47.85 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.504 0.722 . . . . 0.0 110.066 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -64.1 -9.18 14.94 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.755 1.622 . . . . 0.0 114.111 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -100.32 -48.13 4.69 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 120.546 -1.346 . . . . 0.0 108.86 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 12.0 mm -56.5 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 112.523 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.17 -25.31 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.42 0.688 . . . . 0.0 111.947 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.87 -28.68 19.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 119.339 -0.362 . . . . 0.0 111.767 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -62.06 -29.49 70.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.549 0.739 . . . . 0.0 110.662 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.77 -33.24 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.784 1.634 . . . . 0.0 114.508 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 14.98 20.85 Favored Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.691 1.139 . . . . 0.0 115.285 -164.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.94 -163.2 0.97 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.592 1.196 . . . . 0.0 110.724 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -156.55 144.4 19.4 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 128.379 2.672 . . . . 0.0 107.617 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 18.9 p -160.97 169.33 22.78 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -162.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -155.4 148.96 25.14 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.449 2.3 . . . . 0.0 107.759 166.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.26 124.44 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.405 HD23 HG22 ' B' ' 5' ' ' ILE . 1.3 tp -99.13 -49.99 4.3 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.803 1.241 . . . . 0.0 109.598 -164.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -155.07 150.96 27.8 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.978 1.711 . . . . 0.0 110.351 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.87 19.41 0.86 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.763 2.425 . . . . 0.0 114.444 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 130.819 3.648 . . . . 0.0 112.195 -175.113 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 CA--C 1.539 0.557 0 CA-C-O 121.543 0.687 . . . . 0.0 112.593 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.2 mt -54.01 138.17 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.685 1.194 . . . . 0.0 111.153 166.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -103.57 151.7 22.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.865 1.266 . . . . 0.0 110.589 171.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -111.43 126.81 55.35 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 110.449 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -120.84 143.89 48.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.705 1.202 . . . . 0.0 111.518 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -134.27 130.92 37.81 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.664 0.785 . . . . 0.0 110.146 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -124.53 153.06 42.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.64 1.976 . . . . 0.0 111.468 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -101.77 123.72 46.2 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.538 1.535 . . . . 0.0 109.979 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.66 136.85 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.122 1.369 . . . . 0.0 110.367 -167.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.45 118.58 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.684 0.794 . . . . 0.0 111.596 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.1 mtm -145.37 135.04 23.41 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -175.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -84.37 -29.67 26.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.714 2.006 . . . . 0.0 115.554 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.2 p -166.58 165.64 16.61 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 -161.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -67.78 -16.5 64.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.59 -41.94 34.26 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.744 1.164 . . . . 0.0 111.123 169.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -58.51 -52.13 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.871 0.868 . . . . 0.0 110.949 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.7 p -66.54 -24.53 66.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.46 -42.77 47.49 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.245 0.929 . . . . 0.0 112.089 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.23 72.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.469 1.108 . . . . 0.0 111.71 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.43 -50.6 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.419 0.687 . . . . 0.0 110.202 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.53 -38.69 69.59 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.517 0.599 . . . . 0.0 112.518 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.95 -32.72 74.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 HG22 ' A' ' 63' ' ' THR . 18.7 t -67.35 -37.48 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.877 1.217 . . . . 0.0 110.906 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.59 -22.23 62.58 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.5 m -55.66 -26.58 45.37 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.455 1.502 . . . . 0.0 113.202 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.6 -24.74 34.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.44 1.496 . . . . 0.0 113.395 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -105.49 2.95 28.97 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.113 1.765 . . . . 0.0 113.974 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -53.43 -23.43 0.83 Allowed Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.37 -27.41 84.81 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 122.521 1.936 . . . . 0.0 113.454 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -121.82 -23.75 5.41 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.29 1.436 . . . . 0.0 114.177 -175.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.7 125.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.79 1.636 . . . . 0.0 109.516 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -81.95 -35.28 29.23 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -159.54 137.09 9.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 113.727 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.2 136.08 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.181 1.792 . . . . 0.0 109.285 163.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -143.89 119.24 10.24 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.61 1.164 . . . . 0.0 111.349 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.31 137.57 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.904 0.881 . . . . 0.0 110.988 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -114.88 87.03 2.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.223 1.809 . . . . 0.0 109.547 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.09 -45.32 83.45 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.484 1.114 . . . . 0.0 113.706 -167.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -67.1 -27.62 67.49 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -93.45 -4.23 51.63 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.024 0.93 . . . . 0.0 112.622 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 59.34 29.34 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.338 2.255 . . . . 0.0 113.184 -176.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.28 152.81 21.09 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 112.868 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.95 129.59 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.345 1.858 . . . . 0.0 109.379 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -113.99 134.43 54.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.764 1.626 . . . . 0.0 111.687 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.88 143.94 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.088 1.355 . . . . 0.0 110.879 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -125.04 120.49 31.65 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.883 1.673 . . . . 0.0 110.76 169.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -169.22 172.47 7.31 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 p -106.78 6.19 29.31 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.169 2.988 . . . . 0.0 113.127 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.8 159.96 79.93 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.485 1.114 . . . . 0.0 111.577 171.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -65.56 146.94 85.96 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.4 2.734 . . . . 0.0 113.69 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -53.13 -54.17 39.66 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.73 -27.5 64.01 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 112.927 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 59' ' ' LYS . 68.3 t80 -65.45 -39.29 91.86 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.77 -0.581 . . . . 0.0 110.983 172.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.4 mm -68.88 -40.73 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.487 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.45 -43.69 79.75 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.638 1.108 . . . . 0.0 111.309 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 32.0 mt-10 -62.48 -43.51 98.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.141 0.976 . . . . 0.0 113.278 175.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 mmtt -72.8 -19.46 61.33 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.988 1.267 . . . . 0.0 113.034 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -73.14 -53.44 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.126 -0.984 . . . . 0.0 110.167 164.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 44.8 mtmt -57.43 -31.86 66.32 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.45 1.023 . . . . 0.0 113.348 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -31.98 22.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.38 1.472 . . . . 0.0 113.89 170.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 HG21 ' A' ' 25' ' ' VAL . 44.1 p -63.11 -16.38 59.79 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.833 1.253 . . . . 0.0 114.191 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.92 -0.11 83.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.578 1.085 . . . . 0.0 114.06 -173.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.69 165.91 11.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.122 1.369 . . . . 0.0 111.41 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.87 137.46 33.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.949 1.7 . . . . 0.0 112.527 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.23 136.18 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.448 1.499 . . . . 0.0 109.199 163.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -101.63 -40.0 7.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.844 1.258 . . . . 0.0 113.587 -173.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 p -159.8 161.84 34.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.419 1.008 . . . . 0.0 111.265 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.03 154.48 17.2 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.26 167.26 29.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.584 1.554 . . . . 0.0 113.551 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.2 142.97 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.81 0.844 . . . . 0.0 110.655 158.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.942 -174.769 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -70.08 95.88 1.01 Allowed 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 127.987 2.515 . . . . 0.0 109.983 -173.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.94 137.15 58.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.855 156.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.0 144.72 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.677 0.751 . . . . 0.0 110.714 161.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -119.24 129.82 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.191 1.796 . . . . 0.0 107.29 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.31 142.68 48.88 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.469 0.577 . . . . 0.0 111.004 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 118.53 22.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.822 168.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.55 101.99 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.669 1.122 . . . . 0.0 108.672 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -75.92 -32.23 59.5 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.479 0.712 . . . . 0.0 112.81 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.2 -7.2 68.0 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.941 1.258 . . . . 0.0 115.664 -168.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.2 ptm -71.09 161.4 31.18 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.418 1.609 . . . . 0.0 111.675 173.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -140.67 -16.28 0.9 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 165.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 p -137.47 170.25 16.4 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -172.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -86.36 -1.97 58.01 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.51 -47.68 6.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.442 1.097 . . . . 0.0 112.743 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.81 -29.03 69.97 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.927 0.891 . . . . 0.0 112.834 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -29.76 68.23 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.34 1.056 . . . . 0.0 112.576 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -20.02 65.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.928 1.24 . . . . 0.0 112.426 174.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -57.3 -32.17 66.4 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.931 1.241 . . . . 0.0 110.842 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.77 -50.52 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.478 0.581 . . . . 0.0 109.742 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -59.17 -51.13 71.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -54.44 -38.94 66.9 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.314 1.415 . . . . 0.0 113.944 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.81 -33.51 24.92 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.747 1.158 . . . . 0.0 113.406 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.3 mt -80.47 -39.71 27.55 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.575 1.08 . . . . 0.0 112.686 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -61.94 -7.36 3.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.981 1.313 . . . . 0.0 113.661 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.99 -33.36 14.17 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.299 2.9 pp -83.54 17.48 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 117.614 2.45 . . . . 0.0 117.614 -160.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt 69.29 27.23 5.15 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.811 2.044 . . . . 0.0 114.296 167.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.62 -16.08 0.46 Allowed Glycine 0 N--CA 1.478 1.454 0 N-CA-C 117.768 1.867 . . . . 0.0 117.768 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.28 137.74 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.607 1.963 . . . . 0.0 110.789 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 43.6 p -93.46 -40.48 10.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.076 0.951 . . . . 0.0 111.85 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -161.36 157.55 25.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.148 1.379 . . . . 0.0 112.26 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -152.19 104.64 2.98 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.476 1.91 . . . . 0.0 110.253 -175.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -107.05 -176.49 3.09 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 110.778 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -156.16 139.4 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.357 1.463 . . . . 0.0 110.233 -175.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 65.1 m -114.15 109.25 18.11 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.041 0.936 . . . . 0.0 109.327 167.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.56 -35.64 73.19 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.681 1.592 . . . . 0.0 115.008 -163.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.1 t -73.4 -35.27 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.976 0.807 . . . . 0.0 112.072 -178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 10.3 p -96.34 -9.14 30.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.623 1.569 . . . . 0.0 113.325 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.12 30.99 13.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.302 2.241 . . . . 0.0 113.094 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -84.48 118.74 24.48 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.007 1.323 . . . . 0.0 109.763 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.48 122.23 30.94 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 165.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -119.54 90.22 3.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -164.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -122.17 148.39 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.182 1.393 . . . . 0.0 112.706 -167.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -141.66 117.81 10.67 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.313 1.445 . . . . 0.0 108.778 -167.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.58 -158.47 0.92 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.357 1.063 . . . . 0.0 110.914 -164.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -153.84 176.34 12.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.711 1.604 . . . . 0.0 113.52 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -41.17 -32.65 0.29 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 128.778 2.831 . . . . 0.0 116.294 -170.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.4 -35.62 3.77 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.738 2.415 . . . . 0.0 113.795 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.28 156.58 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.708 1.203 . . . . 0.0 111.014 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 154.07 37.95 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.955 1.702 . . . . 0.0 111.204 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.14 -31.57 63.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.362 1.065 . . . . 0.0 112.443 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.37 -33.49 73.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.92 0.888 . . . . 0.0 112.438 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m -85.15 -31.35 23.32 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.271 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.03 -40.66 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 172.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.6 2.45 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.468 1.907 . . . . 0.0 115.568 167.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -110.81 -46.55 3.34 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.537 1.135 . . . . 0.0 109.373 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -56.81 -48.57 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.075 1.35 . . . . 0.0 112.685 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.9 -24.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.047 -1.033 . . . . 0.0 110.936 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -88.81 -26.06 21.89 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.267 2.7 p30 -89.72 -5.98 56.49 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.052 1.296 . . . . 0.0 114.215 172.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 78.0 m -76.03 -22.35 55.84 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.986 153.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.25 16.3 12.53 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.537 1.541 . . . . 0.0 116.636 175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -98.3 -148.37 0.33 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.986 1.893 . . . . 0.0 110.742 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -160.44 155.38 24.37 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.105 1.362 . . . . 0.0 108.534 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -166.64 165.79 16.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.62 158.46 43.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.346 1.858 . . . . 0.0 109.878 161.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.93 113.81 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tp -92.82 -44.37 8.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.828 1.251 . . . . 0.0 109.686 -165.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -157.81 156.34 31.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.425 2.29 . . . . 0.0 109.264 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.99 18.36 2.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.829 2.051 . . . . 0.0 112.578 166.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.255 1.373 1 C-N-CA 132.9 4.48 . . . . 0.0 109.281 -165.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.45 114.5 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.543 1.137 . . . . 0.0 110.5 172.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -104.65 156.56 17.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.653 1.181 . . . . 0.0 111.445 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -104.85 142.16 35.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.281 1.032 . . . . 0.0 112.072 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.3 149.23 42.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.604 1.561 . . . . 0.0 110.853 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -141.77 133.47 27.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.711 0.805 . . . . 0.0 111.488 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -127.71 142.1 51.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.247 1.419 . . . . 0.0 111.312 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.24 124.46 36.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.397 1.079 . . . . 0.0 108.995 161.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.42 139.28 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.718 1.207 . . . . 0.0 109.754 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -72.24 115.03 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.356 0.662 . . . . 0.0 109.752 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.9 mtm -137.19 121.91 18.63 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.564 1.146 . . . . 0.0 110.113 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.9 m -91.55 -30.36 16.44 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.027 0.931 . . . . 0.0 113.171 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -151.39 170.68 18.98 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 126.506 1.922 . . . . 0.0 111.734 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 m -71.26 -6.52 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.57 61.07 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 120.777 -1.202 . . . . 0.0 111.008 169.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.65 -45.47 90.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.768 0.784 . . . . 0.0 112.587 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -63.32 -38.31 90.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.629 1.104 . . . . 0.0 112.299 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -35.63 89.24 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.748 0.704 . . . . 0.0 113.089 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.13 72.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.119 0.968 . . . . 0.0 111.765 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.7 -43.93 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.227 0.611 . . . . 0.0 110.647 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.45 -47.81 72.45 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.913 0.779 . . . . 0.0 110.931 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.2 -39.74 79.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.391 0.996 . . . . 0.0 112.792 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.76 -46.85 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.762 1.165 . . . . 0.0 111.806 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.9 -33.66 30.34 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -67.44 -15.76 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.167 1.387 . . . . 0.0 112.493 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -74.81 -7.8 54.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.468 1.507 . . . . 0.0 113.74 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.5 mt -125.92 8.29 7.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.372 1.469 . . . . 0.0 114.672 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -48.2 -36.62 11.6 Favored Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 116.439 2.015 . . . . 0.0 116.439 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -53.95 -17.84 11.72 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.396 2.064 . . . . 0.0 115.858 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -119.36 -0.25 10.98 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.534 1.133 . . . . 0.0 113.373 173.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.14 118.81 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 109.098 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -98.25 -19.4 17.85 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 -168.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -156.87 139.65 15.16 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.472 1.109 . . . . 0.0 111.444 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -128.79 132.48 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.904 2.082 . . . . 0.0 107.859 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -145.42 105.17 3.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.184 0.993 . . . . 0.0 111.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mm -102.05 121.91 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.852 1.661 . . . . 0.0 110.382 -174.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -117.59 97.98 6.15 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.001 1.32 . . . . 0.0 110.717 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.95 -44.75 84.12 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.268 -0.895 . . . . 0.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.01 -48.07 83.25 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.24 0.927 . . . . 0.0 111.071 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -87.85 2.77 50.57 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.737 1.215 . . . . 0.0 113.508 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 53.23 25.42 4.35 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.657 2.783 . . . . 0.0 115.629 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.18 152.21 23.1 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.073 1.349 . . . . 0.0 113.339 -172.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.58 119.2 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 127.177 2.191 . . . . 0.0 107.748 174.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.3 121.24 39.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 109.775 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.37 140.89 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.647 0.779 . . . . 0.0 112.107 -171.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -117.31 123.72 47.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.195 1.798 . . . . 0.0 111.137 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -163.46 153.22 15.15 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.0 p -77.8 -10.23 59.44 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.144 1.778 . . . . 0.0 113.554 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.53 150.36 96.09 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.687 1.195 . . . . 0.0 112.575 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.59 150.84 36.23 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.634 2.889 . . . . 0.0 111.659 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.58 -44.95 89.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.83 -23.28 66.65 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -71.78 -34.54 69.52 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.34 -0.85 . . . . 0.0 111.912 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.99 -40.93 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.419 -0.8 . . . . 0.0 109.943 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.21 -41.56 97.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.419 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.07 -44.17 82.8 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.351 0.978 . . . . 0.0 112.954 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE2' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -61.73 -50.36 72.72 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.363 0.983 . . . . 0.0 110.5 174.468 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.05 -50.56 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.339 1.055 . . . . 0.0 111.737 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -66.56 -27.76 67.99 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.796 -1.19 . . . . 0.0 112.392 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -84.91 -9.64 57.9 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -9.28 58.29 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -169.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.63 87.09 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 119.564 1.075 . . . . 0.0 115.273 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -129.92 132.61 46.42 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.798 1.639 . . . . 0.0 109.067 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.7 141.97 55.15 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.981 0.512 . . . . 0.0 112.35 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.91 131.57 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 109.739 172.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -91.24 -43.66 9.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.76 0.824 . . . . 0.0 112.8 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p -158.17 126.07 5.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.845 0.858 . . . . 0.0 111.623 -171.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.01 131.08 6.29 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.903 1.239 . . . . 0.0 113.054 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -140.41 152.89 46.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.414 1.086 . . . . 0.0 113.754 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.33 139.7 38.94 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.557 1.943 . . . . 0.0 110.084 167.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.978 1.311 . . . . 0.0 113.389 -168.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -125.05 98.91 5.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.984 1.313 . . . . 0.0 111.017 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.54 126.57 28.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.912 1.285 . . . . 0.0 111.235 165.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.26 146.73 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.982 1.713 . . . . 0.0 109.624 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.06 127.05 69.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.15 151.0 24.58 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.741 0.7 . . . . 0.0 109.515 170.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.36 143.29 29.57 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 160.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.88 91.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.137 1.375 . . . . 0.0 109.112 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.11 25.09 0.16 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.72 20.75 2.72 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-O 118.117 -1.38 . . . . 0.0 116.379 -170.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.95 155.33 6.34 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.659 1.729 . . . . 0.0 114.518 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -166.93 175.46 7.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.599 1.959 . . . . 0.0 109.881 -161.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.25 176.45 2.75 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 128.164 2.586 . . . . 0.0 115.259 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -66.8 -23.28 66.04 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -164.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.35 -11.89 33.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.77 1.168 . . . . 0.0 113.653 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -99.08 -23.31 15.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.021 2.128 . . . . 0.0 113.004 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.93 -36.13 42.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.196 1.398 . . . . 0.0 113.754 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -67.46 -14.33 62.83 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -50.31 -31.28 13.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.038 0.935 . . . . 0.0 110.97 161.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.1 -73.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.312 0.645 . . . . 0.0 111.244 165.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -31.36 71.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -162.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.8 m -59.8 -38.52 82.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.174 0.897 . . . . 0.0 111.69 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.67 -36.66 57.18 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.357 0.98 . . . . 0.0 112.475 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 74.2 mt -58.27 -30.91 66.96 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.222 0.919 . . . . 0.0 111.981 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -77.4 -23.86 50.58 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.629 1.172 . . . . 0.0 114.091 170.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -35.62 51.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.876 -1.14 . . . . 0.0 113.736 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.33 10.98 9.18 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 -160.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 67.05 178.26 0.23 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 128.509 2.723 . . . . 0.0 113.082 -175.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.12 -47.05 1.9 Allowed Glycine 0 N--CA 1.478 1.487 0 C-N-CA 127.038 2.256 . . . . 0.0 115.706 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.8 131.88 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.894 2.077 . . . . 0.0 111.318 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -108.73 -28.29 9.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.442 1.497 . . . . 0.0 111.991 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -148.11 148.09 30.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.533 1.133 . . . . 0.0 111.601 170.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.2 p -145.72 148.37 32.94 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.655 0.782 . . . . 0.0 113.028 171.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -154.9 158.46 39.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.707 2.003 . . . . 0.0 110.168 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.53 138.01 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.389 1.475 . . . . 0.0 112.102 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -119.62 90.42 3.33 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.221 1.408 . . . . 0.0 110.459 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -52.54 -46.57 66.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.24 1.816 . . . . 0.0 113.034 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.44 -32.47 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.001 0.92 . . . . 0.0 113.21 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -114.45 2.63 14.7 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.761 1.625 . . . . 0.0 113.626 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.92 37.28 24.0 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.375 1.87 . . . . 0.0 113.444 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -122.62 169.64 10.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.285 1.434 . . . . 0.0 111.417 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -137.59 134.7 35.88 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.521 -0.737 . . . . 0.0 112.552 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -93.78 95.36 9.09 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.1 138.16 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 0.0 110.283 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -134.27 127.24 31.43 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.314 1.046 . . . . 0.0 109.32 -167.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.8 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.931 0.892 . . . . 0.0 112.761 -168.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -153.22 -177.49 6.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.133 2.573 . . . . 0.0 109.964 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.38 -18.85 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.304 1.442 . . . . 0.0 113.676 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -49.46 -23.91 1.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.436 2.294 . . . . 0.0 113.842 168.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -156.4 163.06 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.64 1.564 . . . . 0.0 112.145 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -125.51 145.9 49.89 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.494 1.518 . . . . 0.0 111.971 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -16.93 51.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.291 1.436 . . . . 0.0 113.455 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.7 -28.46 50.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.032 0.933 . . . . 0.0 112.938 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -78.7 -46.51 18.89 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 170.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -54.23 -43.95 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.242 0.617 . . . . 0.0 110.262 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -50.54 -49.4 56.01 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 123.521 0.728 . . . . 0.0 112.95 172.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -78.27 -26.46 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.282 1.401 . . . . 0.0 110.781 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.32 -51.85 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.834 1.253 . . . . 0.0 110.781 168.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mm -75.97 -23.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 121.3 -0.875 . . . . 0.0 111.618 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.05 -32.37 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.755 0.822 . . . . 0.0 111.924 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.04 -21.11 61.58 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.937 1.244 . . . . 0.0 113.732 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.58 -18.79 61.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.525 1.13 . . . . 0.0 113.489 170.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.76 23.17 8.41 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.175 1.369 . . . . 0.0 115.329 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.47 -158.23 0.65 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.678 1.239 . . . . 0.0 110.109 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.43 16.74 2.03 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -163.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.82 154.37 39.53 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -162.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -160.06 145.78 15.41 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.719 1.607 . . . . 0.0 108.241 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 tt -54.05 131.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.654 0.74 . . . . 0.0 112.25 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -95.97 -52.29 4.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.321 1.448 . . . . 0.0 107.849 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -162.42 138.89 7.72 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.909 1.284 . . . . 0.0 111.426 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.13 60.97 0.43 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.785 2.434 . . . . 0.0 111.634 167.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 130.015 3.326 . . . . 0.0 113.628 177.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 . . . . . 0 CA--C 1.533 0.325 0 CA-C-O 121.694 0.759 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.94 138.17 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.883 0.849 . . . . 0.0 110.941 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -112.37 159.02 19.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.928 2.091 . . . . 0.0 110.685 165.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -117.59 140.78 49.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.341 1.456 . . . . 0.0 111.286 171.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.5 150.9 44.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.602 1.961 . . . . 0.0 110.673 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -136.57 134.74 37.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.519 -0.738 . . . . 0.0 110.543 172.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.66 138.03 52.7 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.895 1.278 . . . . 0.0 111.175 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.66 119.85 35.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.413 1.485 . . . . 0.0 109.222 166.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.51 130.68 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.746 1.218 . . . . 0.0 110.833 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.55 97.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.19 0.996 . . . . 0.0 109.401 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -73.32 -31.33 63.93 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -161.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p 73.97 -36.92 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 129.685 3.194 . . . . 0.0 114.445 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.54 175.29 10.0 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 127.73 2.412 . . . . 0.0 110.567 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 m -71.41 -16.39 62.39 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.72 73.17 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.912 0.778 . . . . 0.0 113.47 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.01 -44.85 64.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.737 1.215 . . . . 0.0 112.828 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -59.05 -22.13 60.23 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.4 -41.44 4.82 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 125.042 1.306 . . . . 0.0 112.315 170.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.62 55.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.376 1.07 . . . . 0.0 112.044 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.04 -41.09 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.146 0.578 . . . . 0.0 110.545 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -55.13 -51.24 67.08 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.257 0.623 . . . . 0.0 110.871 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -61.35 -47.9 83.78 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.571 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.35 -43.31 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 120.27 1.396 . . . . 0.0 111.528 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.81 -28.42 62.55 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.343 -0.848 . . . . 0.0 112.984 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -62.6 -30.53 71.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.256 1.022 . . . . 0.0 111.935 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -56.39 -21.26 23.79 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.665 1.12 . . . . 0.0 113.531 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -112.36 11.89 20.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.696 1.598 . . . . 0.0 113.785 -170.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.01 -30.91 6.36 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.72 -17.89 52.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 121.891 1.711 . . . . 0.0 113.607 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -107.96 -35.16 6.7 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 112.785 168.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.36 105.75 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.045 1.738 . . . . 0.0 110.801 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 p -84.44 -18.22 36.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.401 1.48 . . . . 0.0 114.818 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -162.38 136.32 6.41 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.272 1.029 . . . . 0.0 112.954 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.37 127.56 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.936 1.694 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.07 138.51 40.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.867 1.267 . . . . 0.0 111.186 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.2 mm -105.29 146.44 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -131.49 101.44 5.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.889 1.275 . . . . 0.0 110.813 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.13 -51.43 63.95 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.5 -52.05 50.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.137 0.881 . . . . 0.0 110.857 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.05 -4.56 25.64 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.211 1.404 . . . . 0.0 113.327 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 55.9 30.96 16.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.709 2.004 . . . . 0.0 113.621 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.94 155.99 17.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.819 1.248 . . . . 0.0 113.162 -175.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.31 131.83 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.339 1.856 . . . . 0.0 109.174 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.71 118.45 36.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.284 1.834 . . . . 0.0 110.066 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.66 134.82 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.714 1.206 . . . . 0.0 110.866 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.58 132.55 54.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.442 1.497 . . . . 0.0 109.646 168.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.92 154.1 7.51 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -171.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -75.62 -6.75 51.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.556 1.542 . . . . 0.0 113.562 169.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.86 157.81 78.7 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.835 1.654 . . . . 0.0 113.868 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.58 159.8 48.05 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.96 3.107 . . . . 0.0 112.138 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.96 -52.79 17.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.053 1.341 . . . . 0.0 113.861 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.39 -21.85 66.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.66 -39.87 94.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.586 0.754 . . . . 0.0 111.583 170.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.2 mm -73.91 -38.87 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.304 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.87 -50.23 64.22 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.462 0.574 . . . . 0.0 110.957 173.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.32 -44.21 79.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.582 0.753 . . . . 0.0 112.885 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.89 -33.53 71.96 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.156 1.344 . . . . 0.0 112.771 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.59 -59.77 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.748 1.219 . . . . 0.0 110.483 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.17 -35.65 69.83 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.574 1.079 . . . . 0.0 113.187 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 3.22 20.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -63.23 -33.48 75.58 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.234 -0.916 . . . . 0.0 112.065 163.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.97 -3.0 14.58 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.116 1.341 . . . . 0.0 114.008 -170.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -108.52 141.83 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.751 1.276 . . . . 0.0 112.085 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -81.78 158.44 24.12 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.594 1.158 . . . . 0.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.38 143.89 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.619 1.168 . . . . 0.0 111.322 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.45 -42.95 21.73 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.312 -0.242 . . . . 0.0 110.998 172.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -171.61 148.6 2.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.365 1.066 . . . . 0.0 112.951 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.6 159.57 21.03 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.404 1.002 . . . . 0.0 111.529 159.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -140.86 150.63 43.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.989 0.899 . . . . 0.0 113.15 167.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -98.44 130.03 45.06 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.898 2.079 . . . . 0.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.257 1.823 . . . . 0.0 111.262 -174.598 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -161.49 117.45 2.12 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.687 1.195 . . . . 0.0 112.398 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -66.78 132.18 47.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.688 1.195 . . . . 0.0 109.352 154.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.37 142.58 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.822 1.649 . . . . 0.0 111.884 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -118.76 108.7 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.864 1.666 . . . . 0.0 107.685 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.56 135.82 45.26 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.409 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.09 145.93 35.51 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.741 1.155 . . . . 0.0 110.374 170.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.52 113.62 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.12 1.368 . . . . 0.0 107.739 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -84.39 25.82 0.84 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -165.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.31 18.44 2.67 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.251 1.405 . . . . 0.0 115.488 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.7 mmt -51.45 151.8 2.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.967 1.384 . . . . 0.0 113.703 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -170.26 -148.7 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.997 1.719 . . . . 0.0 110.465 -160.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -74.51 172.62 11.65 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.904 1.681 . . . . 0.0 114.08 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -75.67 -26.57 57.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -155.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.9 13.35 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.648 1.113 . . . . 0.0 111.366 174.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -56.5 -37.01 69.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.931 1.293 . . . . 0.0 112.505 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.4 p -79.14 -56.1 4.62 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.417 1.487 . . . . 0.0 112.871 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -71.52 6.79 1.67 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.747 1.158 . . . . 0.0 114.104 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -38.96 -49.81 1.72 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.218 1.007 . . . . 0.0 110.596 145.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.17 -55.87 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.762 0.825 . . . . 0.0 110.686 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -58.38 -44.91 89.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.46 0.704 . . . . 0.0 111.722 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 48.6 m -45.93 -35.01 4.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.719 1.208 . . . . 0.0 114.103 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -91.55 -47.91 7.15 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.561 1.528 . . . . 0.0 113.382 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pp -70.76 -29.89 66.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.988 1.267 . . . . 0.0 113.341 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -60.06 -29.55 68.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.519 1.054 . . . . 0.0 112.192 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.93 -6.69 59.02 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -169.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.271 3.8 pp -73.48 10.54 1.01 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -169.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt 59.08 28.51 17.81 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.647 2.779 . . . . 0.0 113.757 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.64 -3.93 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.332 1.92 . . . . 0.0 116.651 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.8 t -94.6 129.02 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.146 1.473 . . . . 0.0 108.438 173.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 24.4 m -97.95 -47.72 5.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.219 1.008 . . . . 0.0 110.944 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -136.14 148.84 48.4 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.901 1.681 . . . . 0.0 109.901 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 p -176.2 133.65 0.25 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.817 1.247 . . . . 0.0 113.981 -167.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.75 -178.89 6.0 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.441 2.696 . . . . 0.0 108.776 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.19 153.13 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.05 2.14 . . . . 0.0 110.985 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -135.23 148.48 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.2 1.4 . . . . 0.0 109.223 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.26 12.46 29.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.12 -35.7 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.804 0.729 . . . . 0.0 110.925 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.41 -20.55 8.42 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.354 1.462 . . . . 0.0 111.476 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.253 78.0 m-20 90.2 47.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.802 3.241 . . . . 0.0 110.504 -174.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -111.04 149.43 30.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.731 1.612 . . . . 0.0 114.465 -170.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.6 m -91.15 126.48 36.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.565 1.146 . . . . 0.0 109.098 161.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.32 85.47 2.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.323 1.049 . . . . 0.0 108.947 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.72 157.29 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.79 1.636 . . . . 0.0 112.009 -160.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.2 m -147.47 136.26 22.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.979 1.712 . . . . 0.0 109.504 -173.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.64 147.13 37.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 123.213 1.482 . . . . 0.0 111.261 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.36 -68.22 0.64 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 128.729 2.812 . . . . 0.0 113.589 -173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 178.0 154.6 0.34 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.408 2.683 . . . . 0.0 108.917 -173.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 80.38 36.17 0.12 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 129.583 3.153 . . . . 0.0 111.099 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.9 t -159.02 148.7 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.543 2.337 . . . . 0.0 108.714 -161.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -148.41 147.66 29.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 110.545 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.37 -27.01 67.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.19 -35.65 69.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.694 1.198 . . . . 0.0 112.61 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 m -78.83 -37.02 41.6 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.118 0.967 . . . . 0.0 111.651 175.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.14 -35.68 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.624 -0.673 . . . . 0.0 110.285 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -54.76 -33.69 61.58 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.856 -1.152 . . . . 0.0 112.661 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.85 -28.55 55.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.057 1.299 . . . . 0.0 110.62 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.14 -47.4 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.11 1.364 . . . . 0.0 110.101 171.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.37 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.72 -32.88 60.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.881 0.472 . . . . 0.0 111.574 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.37 -19.75 63.84 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -81.74 -4.29 55.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.808 1.643 . . . . 0.0 112.683 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.91 9.54 65.82 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.477 1.513 . . . . 0.0 116.329 172.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.14 -155.25 0.43 Allowed 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.897 1.848 . . . . 0.0 111.892 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.25 137.0 17.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.997 2.119 . . . . 0.0 107.152 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -167.61 158.3 11.13 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -155.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.24 17.41 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.904 1.281 . . . . 0.0 110.601 -171.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 tp -75.89 107.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.54 -43.91 16.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 109.085 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -155.37 145.58 21.79 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.754 2.022 . . . . 0.0 108.006 169.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.29 47.59 0.57 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.135 -0.978 . . . . 0.0 112.211 161.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.253 1.266 0 C-N-CA 130.857 3.663 . . . . 0.0 111.805 -168.264 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 . . . . . 0 CA--C 1.544 0.748 0 CA-C-O 122.638 1.208 . . . . 0.0 112.612 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.9 mt -81.74 113.85 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 125.977 1.711 . . . . 0.0 110.391 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -85.76 162.0 18.91 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.928 1.291 . . . . 0.0 111.55 169.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -121.91 121.8 37.94 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.24 1.816 . . . . 0.0 110.103 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.12 149.17 43.96 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.768 1.227 . . . . 0.0 111.198 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -129.33 146.31 51.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.443 1.097 . . . . 0.0 109.875 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -138.94 141.79 38.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.761 1.624 . . . . 0.0 110.283 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -106.13 116.85 32.64 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.74 2.016 . . . . 0.0 108.357 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.57 139.85 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.4 1.08 . . . . 0.0 109.765 -161.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.57 113.83 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 122.961 0.504 . . . . 0.0 109.791 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.5 tpp -125.69 104.58 8.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.409 1.084 . . . . 0.0 110.002 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -81.85 -21.85 37.3 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -164.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -160.21 167.96 26.46 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.601 1.56 . . . . 0.0 112.598 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -67.99 -15.94 63.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.838 -1.164 . . . . 0.0 112.896 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.72 -38.15 37.74 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.476 1.036 . . . . 0.0 111.735 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.0 -45.6 92.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.671 1.188 . . . . 0.0 110.84 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -55.29 -45.96 76.2 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.968 0.507 . . . . 0.0 112.122 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.73 -40.17 98.87 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 123.296 0.474 . . . . 0.0 112.706 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.23 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.694 1.197 . . . . 0.0 112.01 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.71 -43.35 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.478 -0.764 . . . . 0.0 110.931 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.08 -35.74 75.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.334 -0.853 . . . . 0.0 112.272 172.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -62.93 -46.2 88.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.783 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.6 t -52.14 -50.54 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 119.429 1.013 . . . . 0.0 111.283 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.32 -22.49 57.62 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -68.41 -26.17 65.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.026 1.284 . . . . 0.0 111.84 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -56.81 -15.73 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.451 -1.406 . . . . 0.0 113.456 165.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.0 mt -107.91 9.47 28.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.8 1.64 . . . . 0.0 113.551 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -50.08 -29.97 2.84 Favored Pre-proline 0 N--CA 1.48 1.047 0 CA-C-N 121.834 2.106 . . . . 0.0 115.835 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -58.47 -18.4 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 CA-C-N 121.354 1.519 . . . . 0.0 114.607 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.65 -19.21 3.77 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.503 1.921 . . . . 0.0 113.79 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.95 134.27 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 109.591 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -91.15 -46.52 8.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.637 0.775 . . . . 0.0 112.667 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -156.34 136.09 12.54 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.41 1.084 . . . . 0.0 112.269 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.59 132.69 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.199 1.4 . . . . 0.0 110.042 169.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -139.85 116.77 11.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.127 0.971 . . . . 0.0 111.481 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.52 142.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.729 1.612 . . . . 0.0 110.332 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -127.06 97.41 4.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.347 1.859 . . . . 0.0 109.466 171.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.0 -48.95 64.35 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -166.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -43.44 89.35 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.134 1.334 . . . . 0.0 111.002 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -82.59 0.76 41.39 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.441 1.896 . . . . 0.0 113.445 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 52.55 38.21 25.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.363 2.665 . . . . 0.0 114.781 174.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.278 3.7 pp -125.01 157.2 36.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.78 130.5 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 126.53 1.932 . . . . 0.0 108.559 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -107.83 137.53 45.68 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.018 1.727 . . . . 0.0 109.752 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.55 147.48 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.846 1.259 . . . . 0.0 110.953 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.47 130.48 49.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.873 1.669 . . . . 0.0 110.496 166.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -167.54 154.79 8.55 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.75 1.159 . . . . 0.0 113.374 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.2 p -80.27 -12.41 59.62 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.869 1.268 . . . . 0.0 112.894 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.33 152.36 96.54 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 112.819 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -71.44 151.58 59.56 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.448 2.766 . . . . 0.0 111.981 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.37 -42.89 87.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.84 1.256 . . . . 0.0 113.411 -171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.83 -23.19 67.16 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.799 1.24 . . . . 0.0 112.763 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.88 -37.88 58.43 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 111.673 173.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.7 mm -71.12 -39.61 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.954 0.902 . . . . 0.0 111.939 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.02 -47.21 68.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.517 0.599 . . . . 0.0 111.053 173.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.28 -31.9 70.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.7 -46.28 90.36 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 120.155 1.343 . . . . 0.0 111.275 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.15 -52.04 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.19 0.996 . . . . 0.0 110.462 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -53.9 -37.32 63.65 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.205 1.002 . . . . 0.0 112.42 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -63.33 -23.38 67.39 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.7 p -73.08 -18.43 61.31 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -174.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.73 2.81 88.54 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.357 0.98 . . . . 0.0 114.76 -173.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HE3' HG21 ' B' ' 19' ' ' THR . 5.9 mptt -94.87 127.79 41.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.315 1.446 . . . . 0.0 109.178 174.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.14 136.12 38.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.809 0.731 . . . . 0.0 112.623 -172.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -88.66 144.64 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.325 1.05 . . . . 0.0 111.347 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -110.44 -50.78 2.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 112.263 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -155.15 171.32 19.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.655 1.982 . . . . 0.0 110.345 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.92 171.09 42.52 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.57 1.081 . . . . 0.0 114.284 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -163.64 164.63 23.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.08 145.97 26.58 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.746 1.619 . . . . 0.0 111.055 162.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.127 1.371 . . . . 0.0 112.998 -170.169 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -161.69 126.36 3.41 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.252 1.821 . . . . 0.0 111.416 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.31 153.33 43.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.391 2.276 . . . . 0.0 111.655 166.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.71 138.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.538 1.135 . . . . 0.0 111.827 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.5 mm -119.08 128.18 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.41 145.25 48.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.911 0.778 . . . . 0.0 112.059 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.91 137.68 32.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.36 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.2 112.17 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.137 1.775 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.18 -0.46 49.4 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -164.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.72 23.71 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.339 1.924 . . . . 0.0 115.734 -165.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.79 134.87 36.49 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 120.105 1.952 . . . . 0.0 113.885 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -110.47 -152.19 0.49 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 127.256 2.222 . . . . 0.0 110.379 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.57 -35.77 15.71 Favored 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -160.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.3 t -169.55 -121.12 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.223 1.009 . . . . 0.0 112.364 -168.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -19.49 62.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.416 1.486 . . . . 0.0 114.941 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 p -50.25 -45.98 54.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.72 1.208 . . . . 0.0 111.691 164.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -71.55 -39.99 70.3 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 124.347 1.059 . . . . 0.0 112.968 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -65.35 -9.55 25.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.325 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.451 HG21 ' HE3' ' A' ' 65' ' ' LYS . 60.3 p -51.67 -35.83 44.05 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.504 1.502 . . . . 0.0 112.438 165.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.01 -57.7 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.5 1.12 . . . . 0.0 110.898 167.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.23 -48.13 81.35 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.77 0.714 . . . . 0.0 112.326 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -50.47 -44.65 55.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.631 1.172 . . . . 0.0 112.599 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -77.28 -45.52 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.442 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.53 -44.53 82.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.08 1.309 . . . . 0.0 112.969 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.69 -29.55 64.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.949 0.899 . . . . 0.0 111.981 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.0 -5.65 54.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.16 129.86 34.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.201 1.364 . . . . 0.0 112.845 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -51.21 126.61 17.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.975 0.91 . . . . 0.0 110.113 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.39 -32.55 6.61 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.252 1.882 . . . . 0.0 114.388 -174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.74 114.56 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.649 1.725 . . . . 0.0 109.541 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.3 t -96.9 -36.87 10.43 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.51 0.724 . . . . 0.0 111.998 -175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -143.12 154.7 44.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.687 1.595 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 39.6 t -160.72 114.31 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.688 1.595 . . . . 0.0 110.002 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -118.64 166.05 13.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.052 1.741 . . . . 0.0 111.465 171.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 tt -156.99 128.49 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.93 2.092 . . . . 0.0 111.453 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -122.81 111.06 16.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.087 0.955 . . . . 0.0 111.637 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.54 -34.35 75.4 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.97 -50.14 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.15 0.886 . . . . 0.0 111.473 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.1 p -78.45 -17.64 56.05 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m120 79.32 17.87 0.82 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.812 2.445 . . . . 0.0 113.026 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.73 147.99 24.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.268 1.027 . . . . 0.0 112.837 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 73.8 m -108.7 140.66 41.79 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.117 1.367 . . . . 0.0 109.722 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -122.78 96.79 5.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -173.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 t -125.47 136.61 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.031 1.332 . . . . 0.0 110.384 -164.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -129.04 117.48 20.96 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -166.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -128.4 -157.2 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.745 0.783 . . . . 0.0 112.294 -165.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -178.73 163.23 1.43 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.051 2.94 . . . . 0.0 112.51 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.84 -6.67 1.33 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -166.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.25 -13.46 62.0 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.371 1.068 . . . . 0.0 112.79 165.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -151.86 171.86 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.216 2.206 . . . . 0.0 110.797 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -130.31 159.4 37.05 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.682 1.593 . . . . 0.0 112.359 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.14 -16.49 64.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.95 -38.24 82.57 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.834 1.254 . . . . 0.0 111.447 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -67.01 -44.02 81.39 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.004 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.44 -46.63 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 119.672 1.124 . . . . 0.0 110.486 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.7 -45.02 66.7 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -77.09 -18.78 57.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.27 1.828 . . . . 0.0 111.754 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mm -80.46 -46.31 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.09 1.356 . . . . 0.0 110.4 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -60.24 -34.83 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.291 0.496 . . . . 0.0 110.329 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.52 -36.78 57.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.333 -0.841 . . . . 0.0 113.047 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -70.19 -20.39 63.12 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.486 1.494 . . . . 0.0 113.763 171.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -70.15 -16.28 63.07 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.191 -0.943 . . . . 0.0 112.657 166.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 20.07 15.17 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.731 1.634 . . . . 0.0 115.078 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -108.4 -155.95 0.57 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.63 1.172 . . . . 0.0 110.404 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -160.17 142.94 13.47 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.641 1.577 . . . . 0.0 108.706 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.45 165.28 21.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -161.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.73 140.29 16.9 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.042 2.137 . . . . 0.0 108.585 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.74 125.23 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.499 0.72 . . . . 0.0 111.154 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.29 -50.3 4.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.456 1.902 . . . . 0.0 110.226 -165.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -151.62 141.38 21.87 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 125.73 1.612 . . . . 0.0 110.49 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -78.35 55.92 1.64 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.111 1.765 . . . . 0.0 110.202 160.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.251 1.162 0 C-N-CA 129.465 3.106 . . . . 0.0 112.886 -175.348 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 122.927 1.346 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.25 128.24 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.587 1.955 . . . . 0.0 110.533 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -103.64 159.74 15.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.587 1.155 . . . . 0.0 111.077 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -115.77 133.83 55.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.338 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -128.95 146.55 50.93 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.548 1.539 . . . . 0.0 111.074 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -132.68 129.13 38.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.904 0.882 . . . . 0.0 110.082 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -123.53 141.8 51.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.981 1.312 . . . . 0.0 111.051 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.12 125.16 48.74 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 108.176 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.4 t -140.67 139.39 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.393 1.077 . . . . 0.0 109.962 -163.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.9 t -68.75 118.18 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.97 0.508 . . . . 0.0 109.873 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.1 mtm -140.22 109.17 6.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.819 0.848 . . . . 0.0 110.875 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.0 -43.96 70.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.375 -176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -142.2 176.59 8.85 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -70.37 -12.0 61.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.207 1.403 . . . . 0.0 112.902 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 -38.16 16.33 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.45 1.5 . . . . 0.0 111.452 166.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.68 -52.77 59.18 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.427 1.114 . . . . 0.0 111.371 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.9 p -65.97 -19.36 65.83 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.085 -1.009 . . . . 0.0 112.847 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.36 -36.45 44.65 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.299 0.952 . . . . 0.0 112.438 172.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.49 71.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.885 0.874 . . . . 0.0 111.34 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.99 -49.08 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.261 0.624 . . . . 0.0 110.708 173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -52.43 -52.32 54.57 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.763 0.71 . . . . 0.0 111.609 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.64 -25.7 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -65.66 -45.76 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.505 1.048 . . . . 0.0 110.902 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.75 -35.1 62.6 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -64.77 -27.92 69.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 121.005 1.73 . . . . 0.0 113.49 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -62.93 -12.25 24.11 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.551 -1.343 . . . . 0.0 112.974 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.7 mt -106.31 18.52 21.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.605 1.962 . . . . 0.0 112.998 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -46.16 -33.42 2.32 Favored Pre-proline 0 N--CA 1.48 1.066 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 170.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -63.63 -16.07 52.51 Favored 'Trans proline' 0 C--N 1.354 0.844 0 CA-C-N 121.735 1.655 . . . . 0.0 114.206 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.72 -35.92 2.28 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.894 1.678 . . . . 0.0 114.128 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.1 t -93.57 120.78 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.185 1.794 . . . . 0.0 108.59 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.47 -20.86 14.94 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -165.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.58 135.55 8.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.546 1.539 . . . . 0.0 111.015 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -131.2 153.31 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.607 1.563 . . . . 0.0 110.448 166.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.26 114.99 6.42 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.214 1.006 . . . . 0.0 110.53 169.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.21 137.61 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.285 1.434 . . . . 0.0 110.534 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -129.93 92.32 3.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.399 1.48 . . . . 0.0 111.818 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.6 tp -54.96 -58.98 5.41 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.39 -35.95 76.95 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.748 1.158 . . . . 0.0 112.367 -170.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -91.15 5.46 48.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.802 1.241 . . . . 0.0 114.32 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 59.88 25.81 14.97 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.2 2.6 . . . . 0.0 115.387 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.96 153.68 22.72 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.787 1.235 . . . . 0.0 113.781 -172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 133.88 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.861 2.064 . . . . 0.0 109.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -113.66 132.62 55.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.02 1.728 . . . . 0.0 109.704 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 t -134.86 138.11 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.484 1.114 . . . . 0.0 111.981 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -127.03 120.45 29.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 111.792 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -163.96 160.28 21.75 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -87.86 -3.08 58.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.631 2.772 . . . . 0.0 113.618 168.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.16 153.06 77.02 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 124.363 1.065 . . . . 0.0 112.291 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.23 140.97 94.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.015 2.477 . . . . 0.0 113.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -50.9 -44.38 59.97 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.551 1.141 . . . . 0.0 111.718 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.34 -34.1 76.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.32 1.048 . . . . 0.0 113.778 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.0 -38.76 79.47 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.828 1.251 . . . . 0.0 111.04 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -66.44 -39.62 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.396 174.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.46 -48.44 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.564 1.075 . . . . 0.0 111.548 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.62 -44.66 95.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.435 0.694 . . . . 0.0 112.576 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.9 -37.51 82.48 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.992 1.269 . . . . 0.0 112.871 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.85 -52.15 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.257 0.935 . . . . 0.0 110.592 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.49 -31.44 71.42 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.958 -1.089 . . . . 0.0 112.966 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.68 -15.42 28.63 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.017 1.327 . . . . 0.0 114.523 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.5 p -63.99 -17.67 63.53 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.123 1.329 . . . . 0.0 113.945 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.84 -12.61 68.99 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.25 0.928 . . . . 0.0 114.377 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.94 174.68 10.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.859 1.264 . . . . 0.0 111.741 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.41 149.63 26.84 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.012 1.325 . . . . 0.0 112.403 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.71 122.81 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.671 1.988 . . . . 0.0 108.775 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -89.26 -34.53 16.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.51 1.524 . . . . 0.0 111.833 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -160.38 159.4 31.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 112.789 166.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.97 154.26 22.15 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.33 1.443 . . . . 0.0 112.001 166.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -155.56 152.79 29.24 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.59 120.9 42.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.262 2.225 . . . . 0.0 108.871 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.324 1.45 . . . . 0.0 113.025 -170.173 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 -160.68 -147.15 0.14 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.616 2.766 . . . . 0.0 109.21 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -156.44 161.68 40.06 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.044 2.138 . . . . 0.0 110.869 -174.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -153.16 141.85 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.919 1.288 . . . . 0.0 109.494 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.33 136.12 60.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.592 1.157 . . . . 0.0 107.936 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.28 149.44 45.7 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.191 0.996 . . . . 0.0 111.894 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.91 147.37 35.07 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.889 0.476 . . . . 0.0 110.303 166.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.01 108.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.016 1.326 . . . . 0.0 110.258 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -86.45 -23.91 25.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -163.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.78 -5.61 89.24 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 -167.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.6 ptp -81.31 147.48 29.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.431 1.092 . . . . 0.0 112.389 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -141.72 -30.0 0.6 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.7 168.02 28.42 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 122.282 1.039 . . . . 0.0 112.93 -161.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 88.4 p -71.85 22.6 0.05 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -167.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.06 -44.75 1.28 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.821 -1.174 . . . . 0.0 113.016 172.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.06 -32.91 74.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 p -58.53 -53.74 54.92 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.824 1.65 . . . . 0.0 112.599 173.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -26.02 68.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.261 0.937 . . . . 0.0 111.624 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.02 -36.49 7.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.273 1.429 . . . . 0.0 111.611 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.81 -50.12 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 119.097 -0.477 . . . . 0.0 110.083 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.92 -51.16 69.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.023 0.829 . . . . 0.0 111.456 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.8 m -48.96 -44.9 41.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.978 1.311 . . . . 0.0 112.713 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -90.65 -41.42 11.33 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.63 -37.5 62.79 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.138 1.335 . . . . 0.0 111.876 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.48 -23.97 53.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.671 1.123 . . . . 0.0 113.078 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.73 -4.47 59.18 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.164 1.386 . . . . 0.0 114.273 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.01 119.0 16.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.633 1.106 . . . . 0.0 109.614 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 111.63 1.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.67 -0.644 . . . . 0.0 109.489 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.42 -4.88 26.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.308 1.908 . . . . 0.0 115.268 -170.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -107.84 135.73 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.481 1.641 . . . . 0.0 109.17 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -102.93 -38.62 7.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.055 0.942 . . . . 0.0 112.97 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -158.84 153.27 24.18 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.706 1.202 . . . . 0.0 112.486 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -136.82 117.46 13.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.717 1.607 . . . . 0.0 111.819 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.58 163.94 11.98 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.025 1.73 . . . . 0.0 110.844 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -143.27 152.69 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.444 1.898 . . . . 0.0 109.352 -165.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.1 t -144.71 118.57 9.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.636 -1.29 . . . . 0.0 109.89 154.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.88 -29.69 25.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.697 1.999 . . . . 0.0 110.905 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -58.27 -26.11 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -124.4 6.65 8.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.275 1.43 . . . . 0.0 114.151 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.73 44.58 3.72 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.761 1.624 . . . . 0.0 113.674 169.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.4 159.82 39.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.07 1.348 . . . . 0.0 113.518 -170.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 58.9 m -140.07 146.76 39.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.004 1.322 . . . . 0.0 112.36 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -121.16 102.47 8.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.081 1.752 . . . . 0.0 108.991 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.15 135.85 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.689 1.596 . . . . 0.0 109.953 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.0 m -120.76 118.92 31.27 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 126.677 1.991 . . . . 0.0 106.763 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -154.6 -174.29 4.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.456 1.598 . . . . 0.0 110.997 -158.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.13 166.6 27.36 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 127.514 2.326 . . . . 0.0 113.153 -166.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -55.67 -21.62 19.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.635 1.574 . . . . 0.0 115.098 -162.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.6 -16.28 63.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.326 1.85 . . . . 0.0 114.448 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 95.4 t -124.37 149.41 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.727 1.611 . . . . 0.0 109.314 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -120.9 139.64 52.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.379 1.872 . . . . 0.0 108.922 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.07 -28.1 69.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.39 -21.06 66.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.799 1.64 . . . . 0.0 113.815 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -80.46 -41.33 24.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 110.882 168.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.4 -40.4 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.47 -0.769 . . . . 0.0 109.968 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -64.72 4.14 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.765 1.626 . . . . 0.0 114.97 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.1 -46.12 2.21 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.672 1.589 . . . . 0.0 109.181 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.13 -42.88 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.211 1.004 . . . . 0.0 112.204 174.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.18 -18.05 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.51 0.596 . . . . 0.0 112.164 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.75 -36.75 42.7 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.035 0.379 . . . . 0.0 110.335 167.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.63 -5.08 26.78 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.125 -0.984 . . . . 0.0 113.096 166.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.5 m -91.53 -9.35 44.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.634 1.174 . . . . 0.0 112.979 162.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.63 29.61 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.823 1.202 . . . . 0.0 115.301 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -118.9 -164.35 1.03 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.198 1.499 . . . . 0.0 111.02 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -164.17 140.38 6.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.74 2.816 . . . . 0.0 107.341 -172.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.2 p -167.73 169.74 11.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -149.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.9 144.22 16.23 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.071 1.748 . . . . 0.0 108.772 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -74.81 108.26 6.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 124.294 1.038 . . . . 0.0 108.219 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.51 -50.97 9.94 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -167.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -156.66 147.77 22.09 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.179 1.791 . . . . 0.0 111.634 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.29 61.39 0.64 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.764 2.426 . . . . 0.0 110.281 160.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.588 1.155 . . . . 0.0 114.099 -174.802 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 123.135 1.445 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.19 129.21 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.938 1.695 . . . . 0.0 110.412 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.84 158.57 18.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.697 1.199 . . . . 0.0 111.515 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.28 118.21 33.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.506 1.122 . . . . 0.0 111.092 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.93 144.72 42.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 124.559 1.144 . . . . 0.0 110.444 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -131.61 138.29 48.74 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.535 0.734 . . . . 0.0 109.489 171.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.58 135.1 48.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.776 1.231 . . . . 0.0 109.897 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -84.97 122.56 29.39 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 157.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.58 137.46 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.878 1.271 . . . . 0.0 109.615 -170.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.3 t -69.09 104.86 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.892 1.277 . . . . 0.0 109.31 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -141.36 138.21 32.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.986 0.915 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.32 4.28 9.72 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 t -149.63 151.79 34.35 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.124 1.37 . . . . 0.0 112.779 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 m -62.44 -12.29 20.96 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.344 1.057 . . . . 0.0 112.936 165.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -27.54 63.44 Favored Glycine 0 C--N 1.343 0.948 0 C-N-CA 123.987 0.803 . . . . 0.0 112.784 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.2 -49.44 43.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.816 1.308 . . . . 0.0 110.584 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -64.83 -32.13 73.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.365 -0.834 . . . . 0.0 112.348 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.28 95.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.241 -0.912 . . . . 0.0 112.587 170.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.03 80.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.544 1.137 . . . . 0.0 111.952 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.9 t -55.77 -49.82 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.519 0.727 . . . . 0.0 110.913 173.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.0 -38.0 78.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.735 0.698 . . . . 0.0 111.593 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -66.46 -51.14 60.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 0.0 113.12 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.41 -37.74 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.617 1.098 . . . . 0.0 111.453 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.5 -22.63 50.93 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -69.35 -13.31 62.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.645 1.178 . . . . 0.0 113.146 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -79.86 -8.39 59.27 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.668 1.187 . . . . 0.0 113.75 167.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.8 mt -123.28 18.12 9.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.499 1.919 . . . . 0.0 113.154 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -59.04 -28.2 4.37 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 116.743 -1.598 . . . . 0.0 115.192 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.25 -22.5 74.24 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 CA-C-N 122.039 1.764 . . . . 0.0 113.424 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -108.2 -34.24 6.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.747 1.219 . . . . 0.0 113.503 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.84 119.82 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.38 1.472 . . . . 0.0 109.944 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.6 p -86.4 -28.24 23.69 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -155.06 140.84 18.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.638 1.175 . . . . 0.0 113.572 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -119.32 139.09 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.387 2.275 . . . . 0.0 107.824 167.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -155.11 140.13 17.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 109.735 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 mt -129.81 139.13 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.794 0.838 . . . . 0.0 110.941 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -125.36 74.52 1.39 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.323 1.849 . . . . 0.0 110.589 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.25 -36.68 43.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.887 2.075 . . . . 0.0 113.95 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.0 -21.98 65.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.319 1.048 . . . . 0.0 113.609 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -116.76 22.72 12.47 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.73 2.012 . . . . 0.0 112.565 164.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 55.52 14.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.778 2.831 . . . . 0.0 117.071 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.31 3.8 pp -104.88 151.94 23.24 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -119.92 130.05 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.214 2.205 . . . . 0.0 108.496 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.91 122.1 43.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.024 1.73 . . . . 0.0 110.201 171.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.66 139.79 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.443 1.097 . . . . 0.0 109.963 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -124.57 121.83 35.87 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 110.163 166.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -167.2 160.48 13.77 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.5 p -86.97 -5.01 59.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.953 2.501 . . . . 0.0 113.805 168.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.33 155.6 93.18 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.952 1.301 . . . . 0.0 111.966 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.94 150.04 77.92 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.724 2.95 . . . . 0.0 112.614 171.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.26 -44.77 88.52 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.558 0.743 . . . . 0.0 112.031 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.725 1.21 . . . . 0.0 113.401 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -68.74 -37.57 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.438 0.695 . . . . 0.0 111.519 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mm -69.01 -37.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.369 -0.832 . . . . 0.0 111.308 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.76 -43.05 76.35 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.058 0.844 . . . . 0.0 111.751 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.98 -41.51 70.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.871 1.268 . . . . 0.0 112.933 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.07 -36.13 83.02 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.321 -1.487 . . . . 0.0 112.28 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -45.67 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.349 0.977 . . . . 0.0 110.849 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -56.92 -44.52 82.52 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 111.868 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.85 -37.99 89.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.3 m -61.29 -33.93 74.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.313 1.445 . . . . 0.0 110.515 171.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.7 12.7 27.64 Favored Glycine 0 N--CA 1.466 0.649 0 C-N-CA 124.795 1.188 . . . . 0.0 114.731 167.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -108.19 152.09 25.05 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.817 1.308 . . . . 0.0 112.084 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.69 139.13 31.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.342 -0.849 . . . . 0.0 111.862 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.55 132.73 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 109.26 167.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -80.18 -58.69 3.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.16 0.584 . . . . 0.0 110.113 167.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -161.2 147.45 14.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.849 1.26 . . . . 0.0 111.69 165.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.06 170.93 25.75 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 125.326 1.441 . . . . 0.0 112.924 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -168.52 160.79 11.26 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.746 1.219 . . . . 0.0 113.444 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.45 142.25 33.13 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 167.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.015 1.726 . . . . 0.0 112.806 -176.063 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.269 0.556 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -112.2 122.92 49.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 129.809 3.244 . . . . 0.0 106.509 -176.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.43 139.13 57.85 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.288 1.435 . . . . 0.0 110.572 166.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.81 139.91 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.807 1.243 . . . . 0.0 107.747 155.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.9 130.47 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 171.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.36 145.47 39.05 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.781 0.832 . . . . 0.0 111.374 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.86 141.81 44.19 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.772 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -132.24 102.03 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.64 -21.74 55.06 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -157.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.49 70.71 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.095 1.331 . . . . 0.0 116.188 -172.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ptm -80.02 176.17 9.98 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.154 1.477 . . . . 0.0 112.15 171.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 -37.55 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.59 1.156 . . . . 0.0 112.424 163.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -121.06 -178.15 3.68 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 123.002 1.382 . . . . 0.0 114.073 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 46.7 m -77.95 6.12 8.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.221 1.408 . . . . 0.0 114.233 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.73 -50.72 3.22 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.637 1.108 . . . . 0.0 112.746 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p -66.08 -31.63 72.62 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.797 1.18 . . . . 0.0 113.212 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.55 -42.81 99.77 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.782 2.433 . . . . 0.0 114.059 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -13.22 62.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.343 1.428 . . . . 0.0 113.427 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -47.69 -45.15 28.15 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.689 1.595 . . . . 0.0 110.632 162.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.89 -57.52 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.724 1.209 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.99 -47.81 71.04 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.392 0.996 . . . . 0.0 113.283 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -48.61 -49.37 37.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.896 1.278 . . . . 0.0 112.091 171.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.35 -41.99 19.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.06 -43.89 64.19 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.872 1.269 . . . . 0.0 111.446 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -56.09 -30.98 62.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.827 1.194 . . . . 0.0 113.22 172.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.32 31.22 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.89 17.59 0.31 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.269 19.0 ptpt 43.67 45.14 5.76 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.715 2.006 . . . . 0.0 114.623 176.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.91 11.09 0.03 OUTLIER Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.797 1.665 . . . . 0.0 116.565 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.71 130.88 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.027 1.731 . . . . 0.0 108.662 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -101.77 -19.49 15.33 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.79 120.96 2.06 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.692 1.197 . . . . 0.0 110.859 -174.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 81.3 m -112.54 131.16 55.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.082 1.353 . . . . 0.0 112.276 168.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -148.17 168.94 21.15 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.407 1.483 . . . . 0.0 110.35 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 53.5 mt -147.18 135.82 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 125.393 1.477 . . . . 0.0 110.102 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.4 m -94.44 108.91 20.82 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.27 -39.75 53.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -162.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.14 -41.5 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.8 0.84 . . . . 0.0 110.943 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.04 -5.7 57.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.394 1.478 . . . . 0.0 114.246 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.3 36.39 3.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.142 1.777 . . . . 0.0 113.46 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -134.98 137.48 43.08 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.674 1.19 . . . . 0.0 111.578 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 79.2 m -102.9 139.46 38.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.976 1.31 . . . . 0.0 111.294 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -112.14 96.57 6.11 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.104 2.162 . . . . 0.0 106.658 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -124.55 129.84 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 0.0 111.434 -175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -120.3 133.48 55.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 109.421 -172.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -150.65 134.09 16.37 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 123.311 1.529 . . . . 0.0 110.349 -160.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -70.71 159.71 33.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.597 165.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -6.5 4.98 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.292 1.437 . . . . 0.0 114.348 -172.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.52 -29.79 59.51 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.381 1.872 . . . . 0.0 112.389 163.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.64 159.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.966 2.107 . . . . 0.0 108.363 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.9 p -132.49 150.51 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.033 1.333 . . . . 0.0 110.884 173.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.13 69.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.139 0.576 . . . . 0.0 111.743 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.75 -23.54 64.34 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -75.49 -42.76 52.07 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.714 -0.616 . . . . 0.0 110.771 168.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.06 -43.37 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.787 -0.571 . . . . 0.0 109.7 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.91 -0.74 0.52 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 127.373 2.269 . . . . 0.0 115.093 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -119.47 -46.15 2.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.625 1.97 . . . . 0.0 109.302 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -55.02 -45.04 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.86 1.664 . . . . 0.0 112.406 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.63 -23.43 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.161 0.984 . . . . 0.0 111.977 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.61 -28.73 26.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.203 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -20.55 59.97 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 167.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.87 -11.82 60.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 113.082 163.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.7 29.68 25.96 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 118.414 -1.215 . . . . 0.0 115.547 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -116.52 -161.28 0.79 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.538 1.669 . . . . 0.0 110.651 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.44 144.76 20.99 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.283 2.233 . . . . 0.0 108.471 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.4 p -148.07 167.9 23.76 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -167.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.56 131.91 20.79 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.515 1.926 . . . . 0.0 106.405 163.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mm -72.0 108.15 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.73 -45.89 13.85 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -161.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -164.13 144.05 7.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.808 1.643 . . . . 0.0 111.896 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.29 30.89 0.1 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.306 2.242 . . . . 0.0 112.677 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 126.23 1.812 . . . . 0.0 114.446 -171.9 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 CA--C 1.542 0.669 0 CA-C-O 121.345 0.593 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.258 61.1 mt 45.27 95.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 129.513 3.125 . . . . 0.0 114.954 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -82.93 154.22 24.67 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.577 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -106.4 127.61 53.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.382 1.073 . . . . 0.0 109.729 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.66 147.73 46.1 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.986 1.314 . . . . 0.0 109.996 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -142.98 137.9 29.68 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.478 0.711 . . . . 0.0 109.737 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.34 138.71 41.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.305 1.442 . . . . 0.0 110.531 -172.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -97.87 112.0 24.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.256 1.023 . . . . 0.0 108.798 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.41 135.94 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.535 1.534 . . . . 0.0 108.705 -163.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.85 112.72 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.6 mtm -134.72 78.73 1.76 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.68 1.192 . . . . 0.0 109.819 -175.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.451 1.5 . . . . 0.0 112.614 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HB2' ' HG ' ' B' ' 13' ' ' CYS . 31.3 p -102.7 -158.61 0.68 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.526 2.331 . . . . 0.0 112.816 -176.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -121.72 -22.77 5.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.406 -1.434 . . . . 0.0 114.837 -165.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.53 -12.84 64.15 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.7 1.143 . . . . 0.0 113.828 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.3 -50.48 67.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.327 1.851 . . . . 0.0 112.186 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p -59.54 -39.62 84.54 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.002 0.921 . . . . 0.0 112.018 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.03 91.59 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.464 -0.631 . . . . 0.0 112.085 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 -53.9 14.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.817 1.247 . . . . 0.0 112.431 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.23 -38.21 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 118.767 0.712 . . . . 0.0 111.266 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.31 -44.64 95.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.525 0.73 . . . . 0.0 111.428 171.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.77 -44.47 96.09 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.069 -1.019 . . . . 0.0 112.717 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.76 -38.98 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 119.58 1.082 . . . . 0.0 111.587 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.86 -30.87 61.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.5 m -67.7 -12.74 61.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.852 1.261 . . . . 0.0 112.82 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -50.92 -20.88 1.47 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.7 1.2 . . . . 0.0 113.327 161.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 mt -116.92 25.38 10.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.502 1.921 . . . . 0.0 113.449 -169.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -50.14 -32.05 5.31 Favored Pre-proline 0 N--CA 1.479 0.999 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.61 -14.05 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 CA-C-N 121.93 1.725 . . . . 0.0 114.544 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -126.45 -27.44 3.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.922 1.289 . . . . 0.0 113.895 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -90.86 121.47 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.117 1.767 . . . . 0.0 110.004 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -79.25 -45.97 18.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.56 1.144 . . . . 0.0 112.135 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -158.15 147.61 19.63 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.205 1.402 . . . . 0.0 112.207 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -121.64 143.09 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.609 1.964 . . . . 0.0 107.88 164.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -142.29 134.46 27.54 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.229 1.012 . . . . 0.0 112.185 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mm -105.5 133.62 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.178 1.391 . . . . 0.0 112.56 -170.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -124.83 73.04 1.25 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.403 1.881 . . . . 0.0 109.633 171.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.66 -45.02 90.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.975 1.71 . . . . 0.0 114.632 -164.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -72.14 -26.61 62.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.896 0.878 . . . . 0.0 111.988 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -92.81 6.01 49.15 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.933 1.693 . . . . 0.0 112.941 167.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 60.66 21.58 11.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.827 2.451 . . . . 0.0 114.717 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.31 144.73 28.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.019 1.328 . . . . 0.0 112.622 -172.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -127.85 132.76 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.329 1.852 . . . . 0.0 108.755 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.7 140.9 44.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.729 1.611 . . . . 0.0 110.579 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.7 t -135.03 144.53 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.08 1.352 . . . . 0.0 110.154 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.72 117.81 22.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.105 1.762 . . . . 0.0 110.084 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.0 154.83 13.3 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.065 -1.022 . . . . 0.0 112.993 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 m -89.08 2.9 53.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.591 1.957 . . . . 0.0 112.009 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.35 167.24 37.71 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.009 1.724 . . . . 0.0 113.46 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.12 145.66 85.16 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.576 2.85 . . . . 0.0 111.944 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.58 -45.9 90.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.764 0.826 . . . . 0.0 112.518 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.71 -35.78 75.22 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.516 1.126 . . . . 0.0 112.784 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.12 -31.49 72.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 122.122 -0.361 . . . . 0.0 111.354 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.97 -39.94 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.064 -1.022 . . . . 0.0 111.295 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.1 mt -58.23 -45.87 86.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.254 0.934 . . . . 0.0 111.406 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.99 -38.63 89.33 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.488 1.515 . . . . 0.0 113.142 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.52 -37.7 71.16 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.715 0.689 . . . . 0.0 112.34 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.87 -53.35 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.621 0.768 . . . . 0.0 110.056 171.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -59.45 -34.35 72.41 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.591 -0.693 . . . . 0.0 112.661 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -59.71 -24.08 63.69 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.1 p -66.0 -38.29 88.1 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.4 1.455 . . . . 0.0 112.74 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -6.45 77.79 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.535 1.064 . . . . 0.0 113.791 -171.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -73.65 152.24 40.55 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.363 1.082 . . . . 0.0 110.028 165.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.98 147.66 23.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.813 0.845 . . . . 0.0 112.096 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.55 129.17 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.323 1.449 . . . . 0.0 110.776 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.43 -48.7 8.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.024 1.329 . . . . 0.0 112.34 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -166.45 162.81 17.15 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.482 1.113 . . . . 0.0 111.127 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.71 167.97 26.5 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 124.061 0.839 . . . . 0.0 113.752 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -145.05 155.21 43.22 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.6 114.99 29.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.212 2.205 . . . . 0.0 106.837 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.446 -167.66 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.101 0.477 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 49.4 ttt180 -117.22 -175.75 2.86 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 127.732 2.413 . . . . 0.0 108.268 164.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 2' ' ' ARG . 61.8 mm-40 -140.35 156.63 46.35 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.765 3.226 . . . . 0.0 111.172 -167.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.59 138.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.67 2.388 . . . . 0.0 110.008 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 122.25 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.321 1.048 . . . . 0.0 109.253 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.61 146.86 35.4 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.631 1.572 . . . . 0.0 110.141 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.13 151.04 25.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.441 158.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -133.38 104.41 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.79 1.636 . . . . 0.0 107.956 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.78 -17.04 32.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.041 1.336 . . . . 0.0 112.741 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 -4.1 73.32 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.989 1.28 . . . . 0.0 115.273 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.5 ptp -86.5 161.55 18.52 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.66 1.23 . . . . 0.0 112.474 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -162.78 -43.81 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.196 1.399 . . . . 0.0 113.21 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . 0.411 ' HG ' ' HB2' ' A' ' 15' ' ' CYS . 24.5 p -84.51 -90.6 0.09 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.044 1.338 . . . . 0.0 114.401 -163.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 13.1 p -165.51 -81.97 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.068 1.347 . . . . 0.0 112.475 -168.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -14.53 63.06 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.806 1.242 . . . . 0.0 114.238 -167.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.7 m -55.68 -29.42 59.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.27 1.428 . . . . 0.0 114.621 163.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.1 p -64.57 -50.38 67.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 119.397 0.999 . . . . 0.0 110.875 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -28.25 69.04 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 118.089 -0.957 . . . . 0.0 111.754 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.4 m -55.16 -34.54 63.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.273 0.942 . . . . 0.0 110.896 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.84 -49.75 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.621 1.1 . . . . 0.0 110.693 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -65.18 -49.27 70.42 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.973 1.261 . . . . 0.0 112.067 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.6 m -50.43 -33.2 20.06 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.39 1.076 . . . . 0.0 113.5 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -86.84 -49.67 7.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.972 1.26 . . . . 0.0 113.994 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.64 -37.81 82.95 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.287 0.949 . . . . 0.0 111.558 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -55.39 -27.09 45.36 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.661 1.118 . . . . 0.0 113.183 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.41 -0.24 55.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.726 1.61 . . . . 0.0 114.551 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -81.43 98.84 8.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 158.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.26 111.95 1.23 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.982 -0.449 . . . . 0.0 110.133 -173.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.3 -18.02 8.38 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.29 1.424 . . . . 0.0 114.775 -169.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.34 124.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.613 2.206 . . . . 0.0 108.862 166.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -40.21 9.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.003 1.321 . . . . 0.0 111.304 -169.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -163.81 134.41 4.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.564 1.146 . . . . 0.0 111.576 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.46 118.08 33.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.44 1.496 . . . . 0.0 111.348 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -110.1 148.33 31.94 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.309 1.844 . . . . 0.0 110.236 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -145.67 142.78 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.266 1.826 . . . . 0.0 109.973 -167.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 118.66 21.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.708 1.203 . . . . 0.0 110.448 163.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -78.02 -38.09 45.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.598 1.959 . . . . 0.0 111.336 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.22 -32.78 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.0 0.818 . . . . 0.0 112.08 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -106.86 -4.81 18.82 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.462 1.905 . . . . 0.0 113.598 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 68.57 39.93 2.0 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.444 1.897 . . . . 0.0 113.345 170.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -139.51 164.87 28.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.863 1.665 . . . . 0.0 112.676 -170.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -153.44 148.07 26.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.905 0.882 . . . . 0.0 113.045 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -121.22 109.83 15.43 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.037 1.735 . . . . 0.0 107.968 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.53 128.64 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.556 1.542 . . . . 0.0 110.435 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 53.6 m -109.55 132.92 53.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.477 1.911 . . . . 0.0 106.606 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.22 127.14 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 123.665 1.698 . . . . 0.0 113.261 -163.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -68.31 163.99 21.74 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.728 2.411 . . . . 0.0 113.397 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.16 -4.18 9.57 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -169.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.77 -10.27 59.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.511 1.524 . . . . 0.0 113.226 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.4 155.18 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.737 2.015 . . . . 0.0 109.968 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.6 p -124.22 154.5 40.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.004 1.322 . . . . 0.0 112.388 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.78 67.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.38 -18.48 55.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.137 0.88 . . . . 0.0 112.724 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -72.03 -50.49 28.04 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.17 164.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.95 -51.55 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.845 0.858 . . . . 0.0 110.619 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.89 20.15 0.08 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -135.97 -37.27 0.73 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.328 1.851 . . . . 0.0 110.254 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mm -61.25 -42.92 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.543 1.137 . . . . 0.0 111.623 168.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.3 -24.59 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.045 0.839 . . . . 0.0 111.015 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -83.76 -32.41 25.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.17 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.21 -14.76 60.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.691 1.196 . . . . 0.0 112.961 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -74.12 -11.91 60.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.99 0.916 . . . . 0.0 112.445 161.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 11.07 59.82 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.714 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.16 -152.24 0.28 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.99 1.395 . . . . 0.0 110.657 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.95 149.43 28.21 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 127.207 2.203 . . . . 0.0 105.665 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -156.58 176.91 12.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.533 0.682 . . . . 0.0 112.74 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -163.3 140.52 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.641 1.176 . . . . 0.0 108.455 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 99.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.1 -48.32 11.51 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.737 1.215 . . . . 0.0 108.443 -165.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -152.56 166.58 31.61 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.661 1.585 . . . . 0.0 110.113 165.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -77.41 6.69 6.47 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 126.864 2.066 . . . . 0.0 115.496 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.253 1.285 0 C-N-CA 131.537 3.935 . . . . 0.0 113.273 -179.578 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 CA--C 1.535 0.392 0 CA-C-O 121.047 0.451 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.71 120.61 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -91.68 162.67 14.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.279 1.832 . . . . 0.0 110.856 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.38 131.71 45.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.628 1.571 . . . . 0.0 110.441 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -136.48 155.63 49.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.052 1.341 . . . . 0.0 112.137 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -131.11 155.51 46.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.637 1.175 . . . . 0.0 110.554 164.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 148.39 48.37 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.812 2.045 . . . . 0.0 109.24 170.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -111.77 127.79 55.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.377 166.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.72 147.23 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.825 1.65 . . . . 0.0 109.208 -165.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -72.05 85.93 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.33 0.652 . . . . 0.0 109.276 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.6 tpp -92.96 112.23 24.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.101 1.36 . . . . 0.0 109.925 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 p -96.65 -24.17 16.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -176.72 167.74 2.6 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.121 1.769 . . . . 0.0 112.59 -162.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.59 -25.18 62.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.641 1.176 . . . . 0.0 113.312 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.71 -26.04 68.28 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.095 0.855 . . . . 0.0 113.512 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -68.23 -57.43 6.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.668 1.187 . . . . 0.0 109.37 168.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -52.05 -42.64 63.3 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.703 1.201 . . . . 0.0 112.407 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.03 68.87 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-O 118.909 -0.939 . . . . 0.0 113.273 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.36 65.99 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.019 0.91 . . . . 0.0 111.066 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.59 -51.09 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.616 0.767 . . . . 0.0 110.294 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.27 -44.7 84.18 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.72 -0.613 . . . . 0.0 112.171 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -66.42 -26.63 67.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.87 -41.81 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 120.846 -1.159 . . . . 0.0 111.457 168.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.04 -27.91 43.18 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -61.53 -18.02 57.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 121.012 1.733 . . . . 0.0 113.619 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -61.05 -17.7 53.82 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.843 1.257 . . . . 0.0 113.869 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.34 13.42 14.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.257 1.423 . . . . 0.0 114.075 -168.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.59 -24.39 1.42 Allowed Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -62.96 -21.0 72.92 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 CA-C-N 121.968 1.739 . . . . 0.0 114.009 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -119.98 -32.78 4.12 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.877 1.671 . . . . 0.0 113.179 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -87.32 121.16 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.81 1.644 . . . . 0.0 109.333 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.7 p -102.46 -22.48 14.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -153.16 143.79 22.68 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.63 1.172 . . . . 0.0 112.016 170.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.41 149.04 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.664 1.985 . . . . 0.0 108.31 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -150.84 117.0 5.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.464 1.106 . . . . 0.0 111.375 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.58 130.15 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.533 1.133 . . . . 0.0 110.958 -170.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -109.09 157.76 18.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.001 0.92 . . . . 0.0 111.769 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -106.86 -58.26 1.96 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.066 0.946 . . . . 0.0 109.473 173.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.68 -39.37 80.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.095 1.358 . . . . 0.0 112.371 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -91.47 1.01 57.43 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.22 4.04 0.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.733 2.413 . . . . 0.0 115.465 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.277 0.8 OUTLIER -102.21 150.36 23.37 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -121.07 134.67 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 127.938 2.495 . . . . 0.0 107.687 173.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.14 130.98 53.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.203 1.801 . . . . 0.0 110.028 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.46 142.92 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.725 0.81 . . . . 0.0 112.099 -168.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -122.01 130.85 53.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.374 1.869 . . . . 0.0 111.222 162.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.5 t -166.25 153.48 9.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 111.806 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 p -74.14 -10.54 59.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.233 1.813 . . . . 0.0 113.475 169.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.98 152.36 79.67 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.655 1.182 . . . . 0.0 113.768 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.53 153.15 60.44 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.716 2.944 . . . . 0.0 111.727 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.76 -39.24 76.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -169.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.17 -38.59 80.14 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.365 1.066 . . . . 0.0 113.266 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.0 -41.56 83.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.074 0.55 . . . . 0.0 111.421 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mm -70.33 -40.95 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.503 0.721 . . . . 0.0 110.932 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.24 -47.61 78.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.112 0.565 . . . . 0.0 110.665 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -71.66 -23.15 61.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.16 -53.46 37.29 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.804 1.184 . . . . 0.0 110.757 161.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.66 -39.08 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.389 0.995 . . . . 0.0 112.305 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -69.17 -25.95 64.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.469 1.108 . . . . 0.0 112.136 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -79.33 -25.51 42.31 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.972 -1.08 . . . . 0.0 113.907 167.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.8 m -73.39 -29.69 62.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.172 1.789 . . . . 0.0 114.312 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.44 -7.94 63.17 Favored Glycine 0 N--CA 1.476 1.347 0 N-CA-C 117.126 1.611 . . . . 0.0 117.126 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 149.65 27.14 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.18 1.49 . . . . 0.0 110.491 167.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.95 138.11 31.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.386 0.613 . . . . 0.0 111.638 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.03 144.07 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.921 2.088 . . . . 0.0 109.667 -170.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -115.29 -38.53 3.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.903 1.281 . . . . 0.0 114.138 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -169.32 -177.21 2.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.544 1.138 . . . . 0.0 111.279 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.34 158.52 13.34 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.136 1.351 . . . . 0.0 113.188 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.54 159.33 39.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.23 145.57 24.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.067 1.347 . . . . 0.0 109.989 163.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.254 1.299 0 C-N-CA 124.697 1.199 . . . . 0.0 113.266 -178.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 121.052 0.453 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -94.07 94.72 8.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.04 2.136 . . . . 0.0 110.416 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.56 132.04 52.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.769 1.228 . . . . 0.0 109.812 164.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.63 151.51 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.8 1.64 . . . . 0.0 110.559 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.98 130.74 66.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.2 1.0 . . . . 0.0 109.231 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.34 145.48 46.13 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.208 1.403 . . . . 0.0 110.076 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.49 140.13 31.69 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.035 163.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.8 t -124.59 118.58 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 126.054 1.742 . . . . 0.0 108.431 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -84.77 28.81 0.65 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.92 1.688 . . . . 0.0 114.156 -166.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.09 29.37 0.36 Allowed Glycine 0 N--CA 1.475 1.247 0 O-C-N 120.74 -1.225 . . . . 0.0 116.017 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mmm -77.13 83.84 3.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.881 1.272 . . . . 0.0 112.24 -171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -80.89 -61.47 1.95 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.762 1.625 . . . . 0.0 113.723 -171.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -153.93 -178.74 7.27 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.915 1.286 . . . . 0.0 112.376 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 60.5 m -69.17 -41.26 77.45 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.63 -1.294 . . . . 0.0 112.499 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.19 68.56 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.599 0.76 . . . . 0.0 112.505 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.6 m -71.26 -45.4 63.26 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.362 1.065 . . . . 0.0 113.342 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.4 p -95.29 -34.73 12.07 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 116.288 -1.815 . . . . 0.0 115.582 -157.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -18.38 64.44 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.547 2.43 . . . . 0.0 112.275 174.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -50.04 -38.06 36.03 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.579 1.152 . . . . 0.0 111.616 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.45 -50.69 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -48.72 80.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.343 -0.836 . . . . 0.0 112.291 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.5 m -54.5 -33.88 60.67 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 120.156 1.343 . . . . 0.0 113.53 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -89.02 -36.3 15.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.28 -42.13 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.408 1.003 . . . . 0.0 111.651 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.15 -19.96 36.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.688 0.795 . . . . 0.0 112.658 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.5 -12.77 60.03 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.74 123.86 28.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.483 1.038 . . . . 0.0 110.965 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.43 103.37 1.02 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.352 1.461 . . . . 0.0 110.49 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.56 -2.65 18.05 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.619 1.581 . . . . 0.0 115.992 -173.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.03 136.56 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 120.236 2.018 . . . . 0.0 109.481 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -103.24 -35.58 8.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 0.0 112.403 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -157.48 138.59 13.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.788 1.635 . . . . 0.0 110.635 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 p -137.25 146.17 44.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.358 1.463 . . . . 0.0 111.283 172.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -168.66 -179.46 3.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.211 1.404 . . . . 0.0 112.503 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.36 167.03 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 126.522 1.929 . . . . 0.0 112.95 -173.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 71.6 m -153.38 124.26 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.124 1.37 . . . . 0.0 111.033 171.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.53 -39.15 67.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.1 1.36 . . . . 0.0 114.033 -172.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -69.63 -27.34 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.593 1.088 . . . . 0.0 112.687 -168.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -111.15 5.78 20.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.853 1.661 . . . . 0.0 112.693 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 62.37 38.81 12.75 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.868 1.667 . . . . 0.0 112.987 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.41 157.06 30.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -166.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 t -114.07 135.01 54.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.964 2.106 . . . . 0.0 109.327 167.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -118.09 110.6 17.83 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.62 1.968 . . . . 0.0 105.939 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.72 144.21 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.744 0.818 . . . . 0.0 112.712 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -136.16 138.12 41.64 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.32 1.848 . . . . 0.0 107.495 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -156.47 145.46 20.32 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.92 1.819 . . . . 0.0 111.059 -167.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.55 165.66 21.89 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.963 2.505 . . . . 0.0 113.556 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -60.35 -9.46 3.56 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.21 2.04 48.52 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.886 1.274 . . . . 0.0 113.113 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.86 161.71 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.987 2.115 . . . . 0.0 109.832 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -146.34 146.94 30.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.736 1.614 . . . . 0.0 111.745 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.05 -25.67 65.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.659 1.184 . . . . 0.0 113.614 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.43 -20.82 62.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.235 1.014 . . . . 0.0 112.882 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -72.94 -42.87 62.98 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.62 -0.675 . . . . 0.0 110.698 165.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.8 -36.99 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.228 -0.92 . . . . 0.0 110.497 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -58.87 -15.67 13.72 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -99.79 -41.72 7.14 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.067 1.747 . . . . 0.0 109.192 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 mm -58.86 -47.05 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.409 1.484 . . . . 0.0 112.732 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.33 -26.85 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 118.912 0.778 . . . . 0.0 110.714 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.22 -32.28 55.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.023 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.24 -31.81 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.769 1.168 . . . . 0.0 112.716 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.8 m -70.79 -13.91 62.23 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.964 1.306 . . . . 0.0 113.68 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.98 26.3 19.66 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.19 0.9 . . . . 0.0 114.539 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -127.72 -154.98 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.374 1.47 . . . . 0.0 108.967 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -163.64 148.71 10.88 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.831 1.652 . . . . 0.0 108.427 173.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.8 p -138.95 165.99 25.65 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -137.63 139.26 40.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.643 1.977 . . . . 0.0 107.783 168.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 13.4 tt -72.97 111.74 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.45 -35.27 19.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.188 0.995 . . . . 0.0 109.2 -164.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -170.62 162.99 8.12 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.99 1.716 . . . . 0.0 111.378 167.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.61 27.66 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.259 2.624 . . . . 0.0 114.146 168.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . 0.253 54.2 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 129.556 3.142 . . . . 0.0 114.489 -172.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.5 mt 63.28 135.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 129.638 3.175 . . . . 0.0 114.935 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.8 162.86 15.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 111.4 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -150.34 133.61 16.32 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.499 -1.376 . . . . 0.0 113.569 -169.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -145.7 158.14 43.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.915 1.286 . . . . 0.0 112.975 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -128.73 130.02 46.53 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.514 1.526 . . . . 0.0 110.66 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -121.91 140.61 52.21 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.106 1.362 . . . . 0.0 111.56 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -91.42 129.86 37.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.939 1.296 . . . . 0.0 111.339 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 t -118.35 141.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.043 1.737 . . . . 0.0 109.997 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.19 110.47 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.201 1.401 . . . . 0.0 107.696 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.4 mmt -79.79 127.93 32.82 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.136 0.575 . . . . 0.0 110.385 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -129.98 -84.73 0.54 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.524 2.33 . . . . 0.0 107.15 -171.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.95 -170.93 2.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.377 1.871 . . . . 0.0 112.518 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 m -70.97 -8.29 52.16 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 166.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.91 -50.73 4.79 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 125.592 1.568 . . . . 0.0 112.749 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -61.21 -40.56 94.44 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.8 1.3 . . . . 0.0 112.496 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -68.33 -25.39 65.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.68 0.792 . . . . 0.0 113.131 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -43.45 56.34 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 121.273 -0.892 . . . . 0.0 111.707 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.57 66.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.57 1.148 . . . . 0.0 112.657 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 p -62.08 -40.24 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.721 0.691 . . . . 0.0 111.73 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.18 -40.41 81.42 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.526 -0.734 . . . . 0.0 111.397 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.83 -34.85 77.53 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.506 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.72 -48.93 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 119.799 1.181 . . . . 0.0 111.05 172.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.57 -24.32 49.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.698 0.799 . . . . 0.0 113.11 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 m -74.1 -10.75 59.93 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.44 1.496 . . . . 0.0 112.535 173.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -70.41 -18.59 63.02 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.626 -1.296 . . . . 0.0 113.042 167.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 mt -114.4 30.77 7.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.57 1.548 . . . . 0.0 113.236 -164.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -53.25 -42.84 93.33 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 -164.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.86 -6.51 18.22 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 CA-C-N 122.205 1.823 . . . . 0.0 112.718 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -117.51 -26.34 6.67 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.371 1.068 . . . . 0.0 112.87 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -109.11 113.61 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.391 1.877 . . . . 0.0 108.832 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -88.87 -29.3 19.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 37' ' ' ASP . 44.5 tptt -154.03 140.5 18.77 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.262 1.025 . . . . 0.0 113.132 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -129.81 141.6 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 127.173 2.189 . . . . 0.0 107.756 172.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -152.91 142.96 22.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.196 0.998 . . . . 0.0 110.336 165.282 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -112.61 145.35 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.143 1.377 . . . . 0.0 110.859 -173.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m -129.85 86.58 2.42 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.372 1.469 . . . . 0.0 111.112 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.77 -45.35 78.15 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -68.89 -42.73 76.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.422 1.01 . . . . 0.0 111.818 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.45 -15.62 62.34 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.169 1.388 . . . . 0.0 113.271 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 70.63 22.9 4.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.616 2.366 . . . . 0.0 112.799 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.3 mt -112.53 161.32 16.89 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.619 1.568 . . . . 0.0 113.814 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.21 137.25 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.154 2.182 . . . . 0.0 108.56 165.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -103.25 133.05 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.929 1.692 . . . . 0.0 109.815 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.14 138.59 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.473 1.109 . . . . 0.0 110.653 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.16 136.75 52.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.039 1.736 . . . . 0.0 110.913 169.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -171.52 156.86 4.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.942 0.897 . . . . 0.0 112.037 -166.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.9 p -86.67 -7.79 58.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.474 1.51 . . . . 0.0 113.052 168.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.29 147.05 78.92 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.842 1.257 . . . . 0.0 111.657 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.82 155.02 30.55 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.299 2.666 . . . . 0.0 111.868 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.15 -40.08 92.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.444 0.698 . . . . 0.0 112.584 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.03 -10.81 24.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.729 1.611 . . . . 0.0 113.993 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.27 -43.44 6.6 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.511 1.124 . . . . 0.0 111.703 167.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.48 -35.71 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -51.45 -52.5 45.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.082 1.353 . . . . 0.0 111.604 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -74.03 -11.59 60.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.767 1.627 . . . . 0.0 114.154 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -85.37 -44.26 12.95 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.21 1.004 . . . . 0.0 112.805 162.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 tt -80.26 -38.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.375 0.988 . . . . 0.0 113.396 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.92 -26.98 65.36 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.113 1.324 . . . . 0.0 112.461 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -61.21 -3.79 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 p -54.82 -60.68 3.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.621 1.568 . . . . 0.0 112.229 164.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.96 6.74 55.9 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 124.636 1.112 . . . . 0.0 115.876 -176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -162.87 152.04 15.09 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.691 1.246 . . . . 0.0 113.196 167.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.316 81.8 mt-10 71.46 17.63 5.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 152.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 t -112.52 134.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.067 1.347 . . . . 0.0 108.598 161.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -102.57 -45.04 5.16 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -173.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -172.56 169.28 5.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.389 1.075 . . . . 0.0 111.176 -167.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.47 179.23 28.28 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 124.296 0.951 . . . . 0.0 114.023 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -176.54 165.03 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.403 1.881 . . . . 0.0 113.616 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -92.21 133.53 35.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.81 1.244 . . . . 0.0 110.023 161.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.675 1.59 . . . . 0.0 113.324 -176.44 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.55 98.91 1.54 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 126.24 1.816 . . . . 0.0 110.729 -177.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.39 166.38 16.82 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.597 2.359 . . . . 0.0 112.666 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.2 p -177.03 141.63 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 127.939 2.496 . . . . 0.0 110.233 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -116.47 136.16 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 164.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.407 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 4.5 pp -133.58 142.94 48.38 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.668 0.787 . . . . 0.0 110.83 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.47 144.07 26.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.124 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.23 113.87 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 125.486 1.514 . . . . 0.0 107.803 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -78.57 -19.78 52.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.692 -0.63 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.37 -1.62 55.64 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.319 1.287 . . . . 0.0 116.319 -173.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 6.7 ptp -72.36 138.53 47.32 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.901 1.85 . . . . 0.0 112.054 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -174.71 -176.94 1.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 128.97 2.908 . . . . 0.0 108.055 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 69.29 -163.73 0.18 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.771 2.428 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -127.45 -2.16 6.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.962 2.105 . . . . 0.0 112.547 163.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.85 -39.41 5.57 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.293 1.837 . . . . 0.0 112.039 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -67.45 -33.07 74.38 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.373 1.069 . . . . 0.0 113.649 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -57.55 -45.94 84.5 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 126.234 1.814 . . . . 0.0 112.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.85 60.19 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -53.7 -33.31 55.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.271 1.028 . . . . 0.0 110.849 168.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.2 -53.31 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.866 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -55.87 -50.8 69.64 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.606 1.094 . . . . 0.0 112.843 172.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -46.21 -48.94 17.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.809 1.243 . . . . 0.0 111.64 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.83 -45.63 14.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.973 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.22 -41.48 98.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.578 1.536 . . . . 0.0 111.832 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -70.36 -1.57 10.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.03 -6.71 22.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.205 1.402 . . . . 0.0 114.334 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -81.72 3.99 23.54 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 45.98 30.81 0.97 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.888 2.475 . . . . 0.0 115.374 176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.66 -12.66 0.16 Allowed Glycine 0 CA--C 1.541 1.665 0 C-N-CA 126.705 2.098 . . . . 0.0 117.192 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.69 143.48 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 127.12 2.168 . . . . 0.0 110.329 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -109.24 -31.39 7.59 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.654 1.182 . . . . 0.0 113.311 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -135.04 142.35 46.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.66 1.584 . . . . 0.0 111.176 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 p -160.75 119.15 2.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.814 1.246 . . . . 0.0 113.266 170.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -150.43 -174.53 4.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.169 2.188 . . . . 0.0 110.456 171.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 pt -146.17 163.24 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.509 1.924 . . . . 0.0 113.649 -164.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.3 t -134.15 121.86 22.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.818 1.247 . . . . 0.0 109.353 162.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.55 -32.32 60.38 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.556 1.143 . . . . 0.0 113.351 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.72 -38.02 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 119.846 1.203 . . . . 0.0 111.783 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.0 p -99.88 0.31 41.08 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.68 1.592 . . . . 0.0 113.0 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.423 0.2 OUTLIER 40.09 50.49 2.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.956 2.502 . . . . 0.0 115.831 -170.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.59 156.05 22.39 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.535 1.534 . . . . 0.0 112.978 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 60.4 m -112.59 135.78 52.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.4 1.48 . . . . 0.0 110.576 164.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -107.32 104.2 13.74 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.855 2.062 . . . . 0.0 105.996 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.02 147.74 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.571 1.548 . . . . 0.0 111.412 -169.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -151.06 135.83 17.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 109.201 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -154.45 -168.43 2.92 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.384 1.474 . . . . 0.0 110.662 -167.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.36 174.36 13.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.655 2.382 . . . . 0.0 112.496 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -56.9 -12.5 2.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.975 2.584 . . . . 0.0 117.975 -161.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.0 -7.27 33.92 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.049 1.339 . . . . 0.0 113.213 169.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 169.32 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.501 1.52 . . . . 0.0 110.612 166.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -142.26 149.5 39.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 111.641 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.31 51.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.929 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.88 -20.86 61.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.718 0.807 . . . . 0.0 113.022 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -81.68 -41.62 21.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.189 0.996 . . . . 0.0 110.512 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.47 -44.91 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 121.321 -0.862 . . . . 0.0 111.093 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -68.49 -5.55 20.05 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -97.26 -50.36 4.59 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 120.83 -1.169 . . . . 0.0 107.937 172.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 mm -54.2 -50.22 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.602 1.961 . . . . 0.0 113.617 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.31 -26.58 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 118.705 0.684 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -83.68 -24.65 31.21 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 172.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -77.46 -19.27 56.22 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.234 1.414 . . . . 0.0 113.278 170.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.49 -17.25 64.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 112.702 162.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.2 27.6 22.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.482 1.039 . . . . 0.0 113.996 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -107.62 -161.41 0.78 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.024 1.412 . . . . 0.0 110.363 168.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -162.27 141.7 9.51 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 127.477 2.311 . . . . 0.0 107.323 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.1 p -158.92 155.46 27.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -156.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.73 136.0 54.18 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.478 1.511 . . . . 0.0 108.305 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm -77.22 83.13 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.268 0.3 OUTLIER -66.48 -36.6 83.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.05 -155.383 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -171.27 132.93 0.82 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.002 2.521 . . . . 0.0 110.511 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.44 41.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 129.713 3.205 . . . . 0.0 114.64 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m . . . . . 0 N--CA 1.483 1.181 0 O-C-N 119.78 -1.825 . . . . 0.0 112.437 -177.727 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 . . . . . 0 CA--C 1.549 0.934 0 CA-C-O 121.096 0.474 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.64 140.74 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.993 1.717 . . . . 0.0 111.531 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -109.13 159.54 16.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.157 1.383 . . . . 0.0 112.491 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -113.49 135.61 53.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.37 1.468 . . . . 0.0 111.31 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -131.33 153.46 49.58 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.506 1.523 . . . . 0.0 110.339 173.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -139.66 121.13 15.08 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.661 0.743 . . . . 0.0 110.582 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -111.95 139.66 47.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.208 1.403 . . . . 0.0 110.286 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -94.16 131.84 39.31 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.676 1.19 . . . . 0.0 108.161 160.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -142.7 142.33 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.903 1.229 . . . . 0.0 110.797 -167.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.75 128.15 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.748 0.819 . . . . 0.0 110.649 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.8 mtm -140.88 128.38 21.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.544 1.137 . . . . 0.0 110.8 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.83 -43.26 20.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 113.608 -175.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.12 179.25 9.2 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.778 1.631 . . . . 0.0 113.267 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -60.02 -11.22 5.34 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.306 1.842 . . . . 0.0 115.846 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -30.83 11.47 Favored Glycine 0 N--CA 1.471 1.01 0 C-N-CA 124.745 1.164 . . . . 0.0 112.355 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.78 -46.86 73.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.711 1.205 . . . . 0.0 111.535 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p -58.25 -29.34 65.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.316 1.046 . . . . 0.0 112.949 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.61 -40.34 32.4 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.358 0.98 . . . . 0.0 112.915 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.33 92.11 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.215 1.008 . . . . 0.0 111.646 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 -49.62 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.168 0.587 . . . . 0.0 110.157 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -54.16 -42.8 70.02 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.765 0.711 . . . . 0.0 112.644 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -58.34 -36.05 72.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.158 0.983 . . . . 0.0 112.788 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.72 -50.02 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.953 0.797 . . . . 0.0 111.181 171.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.41 -31.9 70.83 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.4 m -50.44 -32.92 19.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.805 1.242 . . . . 0.0 113.209 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.2 -28.3 67.86 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.81 -4.5 30.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.135 1.374 . . . . 0.0 114.03 -171.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.93 -30.46 4.79 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.63 -25.1 57.75 Favored 'Trans proline' 0 C--N 1.354 0.824 0 CA-C-N 122.31 1.861 . . . . 0.0 114.541 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.17 -12.81 5.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -91.88 114.33 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.251 1.42 . . . . 0.0 108.593 164.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -81.73 -29.26 33.0 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -160.43 135.62 7.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.784 1.234 . . . . 0.0 111.897 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -136.74 154.5 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.861 1.664 . . . . 0.0 111.631 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -152.86 112.51 3.9 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.433 1.093 . . . . 0.0 111.808 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -97.18 127.04 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.753 2.021 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -124.34 108.2 11.95 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.949 1.3 . . . . 0.0 113.34 -173.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.86 131.87 35.97 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.95 0.9 . . . . 0.0 111.583 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 107.39 -46.4 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 131.535 3.934 . . . . 0.0 110.657 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -85.46 -7.51 58.88 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.371 -0.83 . . . . 0.0 112.926 168.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 59.43 25.44 14.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 128.578 2.751 . . . . 0.0 116.112 170.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -101.64 153.68 19.55 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.969 -174.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.57 119.64 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 127.004 2.122 . . . . 0.0 108.47 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 138.72 31.27 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.579 1.152 . . . . 0.0 109.713 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -135.75 139.12 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.397 1.079 . . . . 0.0 110.693 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -126.5 126.49 43.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.872 1.669 . . . . 0.0 110.116 166.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -168.61 164.03 12.28 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.006 0.923 . . . . 0.0 112.999 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.8 p -88.91 -14.69 36.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.755 1.622 . . . . 0.0 113.041 163.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.12 155.38 87.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.447 1.099 . . . . 0.0 112.819 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.4 146.93 86.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.351 2.701 . . . . 0.0 113.52 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.01 -47.5 82.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.462 0.705 . . . . 0.0 111.94 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.48 -27.2 69.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.77 1.228 . . . . 0.0 113.032 174.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.47 -48.75 59.74 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.414 -0.804 . . . . 0.0 110.502 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.764 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -52.22 -47.86 65.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.025 0.93 . . . . 0.0 111.976 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.35 -36.35 82.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.145 1.378 . . . . 0.0 114.125 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -72.3 -37.87 68.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.992 1.269 . . . . 0.0 112.153 175.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.34 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.996 0.918 . . . . 0.0 110.207 172.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -44.47 -49.4 9.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.215 1.406 . . . . 0.0 111.983 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.98 -12.83 54.41 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -74.48 -10.62 59.74 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.114 1.324 . . . . 0.0 114.208 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.44 -10.89 60.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.711 1.148 . . . . 0.0 113.751 -172.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -84.97 131.85 34.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.751 1.275 . . . . 0.0 109.383 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.76 141.53 34.69 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 111.854 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.2 124.61 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -82.39 -38.9 23.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.956 1.303 . . . . 0.0 110.945 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -172.4 132.82 0.62 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.567 1.147 . . . . 0.0 113.016 169.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.81 143.47 16.01 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 124.298 0.951 . . . . 0.0 113.739 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -125.63 149.4 48.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.535 1.134 . . . . 0.0 112.468 167.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -94.16 135.99 34.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.587 1.955 . . . . 0.0 108.395 158.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.917 1.687 . . . . 0.0 112.284 -176.663 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.53 130.21 17.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.711 1.204 . . . . 0.0 111.037 166.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.6 127.64 32.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.93 2.092 . . . . 0.0 110.684 165.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.75 137.36 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.074 1.75 . . . . 0.0 108.414 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mm -116.85 127.17 74.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.5 141.97 47.71 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.061 0.545 . . . . 0.0 110.028 176.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.04 126.03 37.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.64 107.75 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.953 1.301 . . . . 0.0 108.071 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -73.19 -15.73 61.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 112.83 -172.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.6 12.09 27.89 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.955 1.741 . . . . 0.0 116.056 -173.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 10.3 ptp -93.04 144.59 25.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.885 1.843 . . . . 0.0 111.858 172.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -173.89 -25.56 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.761 1.624 . . . . 0.0 113.472 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.97 152.1 38.79 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.718 1.207 . . . . 0.0 111.902 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 75.0 m -82.26 -12.67 57.92 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 -26.65 6.95 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.853 1.261 . . . . 0.0 114.079 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.96 -14.52 61.73 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -66.7 -55.79 13.54 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.154 1.381 . . . . 0.0 111.954 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -71.28 -3.31 19.75 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.023 0.829 . . . . 0.0 113.205 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -56.43 -40.19 74.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.011 0.924 . . . . 0.0 110.137 160.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.85 -50.39 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.97 -45.06 83.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 85.2 m -57.01 -26.59 60.51 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.021 1.329 . . . . 0.0 113.274 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.98 -49.12 6.96 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.484 1.038 . . . . 0.0 112.004 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.34 -46.32 90.32 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.121 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -55.58 -25.5 38.58 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.85 -1.49 56.71 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.649 1.58 . . . . 0.0 113.956 -176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.93 121.03 20.33 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.55 1.068 . . . . 0.0 110.122 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.37 104.12 0.16 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.167 0.987 . . . . 0.0 111.574 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.46 -28.29 3.82 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.77 1.653 . . . . 0.0 113.624 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.73 121.81 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.872 1.336 . . . . 0.0 110.273 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.4 p -93.62 -41.52 9.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.534 1.133 . . . . 0.0 111.058 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.1 151.1 46.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.805 1.642 . . . . 0.0 111.821 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 45.3 t -156.83 134.27 10.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.882 1.273 . . . . 0.0 110.125 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.48 176.0 12.14 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.357 1.863 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -151.03 136.66 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 125.91 1.684 . . . . 0.0 110.108 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 m -127.58 118.52 24.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.476 1.111 . . . . 0.0 111.47 170.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.43 -28.58 68.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.658 1.583 . . . . 0.0 114.112 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.28 -41.49 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 119.663 1.12 . . . . 0.0 112.023 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 p -108.81 -1.64 19.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.88 1.672 . . . . 0.0 113.393 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 65.12 37.46 6.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.886 2.074 . . . . 0.0 112.314 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.13 136.75 48.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.576 1.15 . . . . 0.0 113.158 -168.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.95 123.6 37.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.395 1.078 . . . . 0.0 109.698 165.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -106.35 79.33 1.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.627 1.971 . . . . 0.0 108.689 -171.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -109.0 145.17 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.137 0.975 . . . . 0.0 111.369 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -144.03 134.29 24.43 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.289 1.435 . . . . 0.0 108.193 -168.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -167.99 148.83 5.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 122.899 1.333 . . . . 0.0 112.107 -160.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.49 162.05 13.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.323 -1.762 . . . . 0.0 112.196 150.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.284 0.5 OUTLIER 108.7 160.09 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 131.528 3.931 . . . . 0.0 112.614 177.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.6 -24.85 15.16 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.798 2.439 . . . . 0.0 117.009 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 140.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 120.163 1.347 . . . . 0.0 114.34 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -94.81 148.35 22.39 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.738 1.615 . . . . 0.0 112.826 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.31 68.29 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 171.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.34 -31.95 70.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.132 1.373 . . . . 0.0 113.105 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -86.18 -39.74 16.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.297 1.039 . . . . 0.0 112.64 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.87 -40.48 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 118.797 0.726 . . . . 0.0 110.204 174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -46.38 -40.15 11.55 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.668 1.187 . . . . 0.0 113.885 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -74.34 -28.07 60.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.34 1.456 . . . . 0.0 110.645 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.87 -43.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.0 1.32 . . . . 0.0 110.61 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.54 -33.32 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.192 0.597 . . . . 0.0 110.03 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.32 -35.52 73.7 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.411 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.78 -18.6 64.22 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -73.19 -15.9 61.44 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.935 0.894 . . . . 0.0 112.592 166.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.25 13.25 29.2 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.653 1.597 . . . . 0.0 115.106 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -103.58 -153.47 0.48 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.195 1.497 . . . . 0.0 110.401 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -161.76 141.12 9.92 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.995 1.318 . . . . 0.0 109.038 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.3 p -172.13 169.91 5.39 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -159.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -165.86 158.57 15.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 129.135 2.974 . . . . 0.0 107.465 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.3 tt -51.84 134.11 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.841 0.829 . . . . 0.0 112.223 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -57.38 2.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.715 1.206 . . . . 0.0 107.912 171.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -176.34 164.71 2.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.516 2.327 . . . . 0.0 108.791 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -98.63 98.75 9.87 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.158 0.983 . . . . 0.0 111.136 167.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.611 1.964 . . . . 0.0 113.67 179.712 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 86.11 14.5 0.14 Allowed 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.039 2.536 . . . . 0.0 114.02 174.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -89.35 131.37 35.46 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.583 1.153 . . . . 0.0 111.018 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -77.62 128.81 38.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.159 0.983 . . . . 0.0 111.237 -171.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -108.14 156.1 19.68 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.718 1.607 . . . . 0.0 111.059 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -116.2 127.21 54.59 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.077 0.951 . . . . 0.0 111.076 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.51 147.07 50.31 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.997 1.319 . . . . 0.0 111.114 -178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -140.09 124.65 18.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.518 0.727 . . . . 0.0 111.181 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -113.84 133.61 55.31 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 125.118 1.367 . . . . 0.0 110.074 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -95.89 120.99 37.15 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.701 1.2 . . . . 0.0 108.652 165.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.8 t -132.95 139.53 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 125.509 1.523 . . . . 0.0 109.159 -168.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -71.67 115.4 11.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.9 mtm -138.92 116.08 11.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.53 0.732 . . . . 0.0 112.092 -174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 98.4 m -83.92 -62.43 1.57 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.053 1.341 . . . . 0.0 111.897 176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.58 160.05 15.6 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 -167.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 84.6 p -64.3 -24.07 67.52 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.759 -1.213 . . . . 0.0 111.198 157.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.62 -2.62 60.84 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.905 1.24 . . . . 0.0 114.704 167.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.6 t -90.04 -53.93 4.26 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 118.671 1.235 . . . . 0.0 110.455 168.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.1 p -60.45 -36.97 79.51 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 121.175 -0.953 . . . . 0.0 112.288 173.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.83 -21.28 75.02 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 121.346 -0.846 . . . . 0.0 114.33 174.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.31 -48.09 14.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.555 1.177 . . . . 0.0 110.736 169.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 69.5 t -53.83 -48.41 62.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.894 0.878 . . . . 0.0 110.736 174.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -56.26 -43.92 79.21 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.999 0.92 . . . . 0.0 112.268 174.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -64.83 -38.22 90.26 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.845 -1.16 . . . . 0.0 113.166 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.16 -47.83 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 119.612 1.096 . . . . 0.0 111.481 173.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 mt -71.85 -24.86 61.77 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.255 1.205 . . . . 0.0 114.255 -175.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -53.55 -35.03 60.31 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.87 1.268 . . . . 0.0 112.224 173.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -60.1 -16.13 29.36 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.855 1.262 . . . . 0.0 113.487 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -109.32 -3.0 17.46 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.5 1.52 . . . . 0.0 113.912 -172.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -52.2 -27.53 2.14 Favored Pre-proline 0 N--CA 1.475 0.812 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.93 -24.05 46.04 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 CA-C-N 121.931 1.725 . . . . 0.0 113.809 173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -126.5 -16.07 5.44 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 125.115 1.366 . . . . 0.0 114.175 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -89.09 127.82 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 125.678 1.591 . . . . 0.0 109.626 168.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.38 -28.4 14.04 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.74 139.5 23.99 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.267 -0.896 . . . . 0.0 112.007 172.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -128.48 128.91 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 126.766 2.026 . . . . 0.0 107.913 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.98 123.49 9.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.026 0.931 . . . . 0.0 111.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.1 mt -111.43 141.28 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.402 1.081 . . . . 0.0 110.145 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -125.79 94.15 4.04 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.911 1.284 . . . . 0.0 109.726 176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.5 tp -62.1 -44.3 96.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.526 0.73 . . . . 0.0 112.612 -171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -59.01 -50.21 74.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.086 1.354 . . . . 0.0 111.656 176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -69.33 -5.83 25.8 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.852 0.861 . . . . 0.0 112.881 173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 56.12 24.73 8.24 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 128.198 2.599 . . . . 0.0 113.99 -177.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.348 4.5 pp -121.12 159.59 25.47 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -172.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -129.38 124.68 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 C-N-CA 127.47 2.308 . . . . 0.0 107.893 -178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -100.18 132.97 45.25 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.223 1.409 . . . . 0.0 110.493 174.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.9 t -130.13 139.58 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.708 1.203 . . . . 0.0 110.231 177.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -125.47 121.24 33.19 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.647 1.579 . . . . 0.0 109.689 169.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -164.95 162.06 20.38 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.8 p -92.31 -7.29 48.38 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 126.947 2.099 . . . . 0.0 113.86 164.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.78 153.48 95.06 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-N 119.509 1.05 . . . . 0.0 111.655 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.93 138.44 28.49 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.305 2.67 . . . . 0.0 112.001 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -56.22 -46.95 79.3 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.957 1.303 . . . . 0.0 114.349 -170.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.31 -25.64 68.13 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -68.33 -32.45 72.58 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 121.263 -0.898 . . . . 0.0 111.889 173.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 mp -72.67 -42.51 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 O-C-N 121.204 -0.935 . . . . 0.0 109.979 173.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.8 mt -55.22 -39.91 70.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.024 0.829 . . . . 0.0 112.115 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -76.91 -27.15 54.83 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.616 1.339 . . . . 0.0 114.616 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -74.96 -35.06 62.12 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.421 -1.424 . . . . 0.0 111.123 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.66 -46.81 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 123.985 0.914 . . . . 0.0 110.397 167.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -60.49 -35.5 76.09 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.036 -1.04 . . . . 0.0 112.786 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -73.35 -25.8 60.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 169.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.8 m -64.26 -34.15 77.46 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.192 0.997 . . . . 0.0 109.692 167.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.28 -9.72 61.22 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 126.185 1.85 . . . . 0.0 114.717 162.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -71.82 149.11 45.57 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.68 1.24 . . . . 0.0 112.076 -179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -78.06 141.84 38.56 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.032 0.533 . . . . 0.0 111.79 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.4 t -110.03 121.75 63.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.971 1.309 . . . . 0.0 109.52 -170.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -78.55 -39.17 38.51 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.2 1.0 . . . . 0.0 112.17 174.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 72.7 p -162.33 161.26 27.44 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.665 1.121 . . . . 0.0 112.547 173.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -141.48 139.42 9.44 Favored Glycine 0 N--CA 1.466 0.648 0 C-N-CA 124.405 1.003 . . . . 0.0 111.23 168.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -151.14 158.76 44.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -97.95 152.63 19.05 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 125.653 1.581 . . . . 0.0 111.331 167.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 C--O 1.254 1.308 0 C-N-CA 126.134 1.774 . . . . 0.0 112.319 -179.779 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.747 -0.094 . . . . 0.0 110.747 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -84.92 -151.24 0.13 Allowed 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 107.505 -1.294 . . . . 0.0 107.505 157.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -172.92 148.09 1.74 Allowed 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 126.806 2.042 . . . . 0.0 109.487 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 m -145.37 149.78 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 125.406 1.483 . . . . 0.0 109.456 170.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.42 HG12 HD23 ' B' ' 69' ' ' LEU . 12.1 tt -140.91 135.09 33.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.067 0.947 . . . . 0.0 109.151 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.451 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 0.6 OUTLIER -141.75 144.01 33.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.273 1.029 . . . . 0.0 111.554 -164.292 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.19 111.84 20.18 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.149 0.58 . . . . 0.0 109.518 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.1 t -107.98 74.55 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.58 1.152 . . . . 0.0 108.613 -174.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -53.3 -21.1 5.02 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.404 2.001 . . . . 0.0 116.404 -166.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -78.34 -11.52 85.23 Favored Glycine 0 CA--C 1.536 1.375 0 O-C-N 120.858 -1.151 . . . . 0.0 115.214 176.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 23.1 mtm -68.15 120.24 14.02 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.365 1.582 . . . . 0.0 111.271 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 98.4 m -141.45 -61.85 0.47 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.615 1.566 . . . . 0.0 109.468 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -86.65 -176.46 5.82 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 125.68 1.592 . . . . 0.0 112.848 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.5 m -87.97 -49.78 6.84 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.893 1.277 . . . . 0.0 113.607 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 -18.78 65.56 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -164.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.1 m -74.46 -28.86 61.22 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 124.949 1.3 . . . . 0.0 113.136 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.8 p -80.41 -36.33 33.94 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 113.796 1.035 . . . . 0.0 113.796 -158.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -21.83 66.08 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.145 -177.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -53.1 -25.46 13.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.082 1.353 . . . . 0.0 112.869 167.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -71.51 -66.65 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 123.469 0.707 . . . . 0.0 110.512 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -57.05 -44.0 82.53 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.25 -0.881 . . . . 0.0 113.261 -173.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 60.0 m -52.36 -46.62 66.22 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.599 1.159 . . . . 0.0 111.879 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.94 -49.81 18.89 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 118.317 0.508 . . . . 0.0 111.696 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 38.4 mt -63.3 -47.3 82.86 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 118.866 0.757 . . . . 0.0 111.807 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -70.41 -1.68 11.44 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.67 -15.84 43.93 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.414 1.006 . . . . 0.0 113.206 166.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 75.9 mt -80.11 130.9 35.59 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.884 1.274 . . . . 0.0 110.452 -178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -71.43 25.53 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.546 2.054 . . . . 0.0 116.546 -164.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -142.38 -9.12 0.58 Allowed Glycine 0 CA--C 1.534 1.225 0 C-N-CA 127.402 2.43 . . . . 0.0 114.945 171.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 74.2 t -78.73 129.31 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 CA-C-N 120.314 2.057 . . . . 0.0 111.118 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 4.6 m -101.96 -32.33 10.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.427 1.891 . . . . 0.0 112.465 -172.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -165.01 151.38 10.29 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.253 1.821 . . . . 0.0 111.264 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -144.38 101.03 3.63 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.015 1.326 . . . . 0.0 111.256 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -100.32 161.81 13.36 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.995 1.718 . . . . 0.0 111.672 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 19.8 pt -150.17 152.13 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.437 1.895 . . . . 0.0 110.663 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 60.1 m -131.78 122.22 25.45 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.31 1.444 . . . . 0.0 110.604 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.7 -19.93 30.14 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.127 1.529 . . . . 0.0 115.127 -161.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.8 t -96.8 -34.87 5.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.688 1.195 . . . . 0.0 111.172 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 82.5 p -94.88 -3.45 48.75 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.511 1.524 . . . . 0.0 113.736 -176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.353 10.5 p30 51.74 15.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 129.135 2.974 . . . . 0.0 116.733 -174.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -71.38 133.05 45.68 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.489 1.116 . . . . 0.0 110.165 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 t -121.46 126.55 49.56 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.854 1.661 . . . . 0.0 108.622 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -126.54 100.45 6.24 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.597 1.559 . . . . 0.0 109.066 -164.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.58 141.7 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.518 1.927 . . . . 0.0 110.414 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 86.8 m -130.08 130.4 44.82 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 126.357 1.863 . . . . 0.0 106.636 -171.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -163.17 148.13 11.39 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 122.669 1.223 . . . . 0.0 111.469 -168.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.57 -69.63 0.25 Allowed 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 129.219 3.008 . . . . 0.0 114.285 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 48.0 t30 178.12 156.61 0.4 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.269 2.228 . . . . 0.0 108.952 -158.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . 0.283 30.1 mt-10 104.22 20.36 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.913 1 C-N-CA 132.898 4.479 . . . . 0.0 112.752 165.17 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.13 147.44 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.831 1.652 . . . . 0.0 112.714 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 71.4 p -104.66 157.2 17.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.332 1.453 . . . . 0.0 112.02 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.4 -32.98 69.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.188 0.595 . . . . 0.0 112.041 172.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.02 -43.83 94.42 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.729 0.812 . . . . 0.0 112.174 172.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.6 m -64.21 -42.42 96.62 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 121.501 -0.749 . . . . 0.0 111.406 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.44 -43.06 93.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.231 1.012 . . . . 0.0 110.971 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -59.01 -32.29 69.57 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.17 -0.956 . . . . 0.0 112.887 176.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -80.02 -35.25 37.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.732 1.151 . . . . 0.0 110.258 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.02 -50.69 76.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.799 1.24 . . . . 0.0 111.305 171.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.8 mm -75.99 -28.58 19.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.588 0.755 . . . . 0.0 111.449 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -71.71 -32.81 68.19 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 118.644 -0.693 . . . . 0.0 111.582 166.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -76.12 -7.11 54.03 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.427 1.467 . . . . 0.0 114.649 168.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.8 m -75.98 -9.1 58.34 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 119.131 0.878 . . . . 0.0 112.288 161.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.79 24.46 17.66 Favored Glycine 0 C--N 1.341 0.859 0 C-N-CA 125.422 1.487 . . . . 0.0 114.403 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -107.89 -164.63 0.98 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.956 1.303 . . . . 0.0 110.979 173.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.88 11.21 4.3 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.214 1.406 . . . . 0.0 114.647 -162.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 28.2 p -63.36 145.16 56.15 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -148.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -119.24 138.46 52.97 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.165 1.386 . . . . 0.0 108.266 170.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 46.0 mm -74.65 106.93 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.402 1.081 . . . . 0.0 108.738 -170.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' B' ' 6' ' ' LEU . 0.3 OUTLIER -71.02 -45.23 64.27 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.628 1.571 . . . . 0.0 109.468 -170.067 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 21.0 mtm-85 -152.59 151.93 31.23 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.319 2.247 . . . . 0.0 108.409 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -87.59 32.98 0.7 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.469 1.508 . . . . 0.0 112.352 165.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 N--CA 1.482 1.147 0 C-N-CA 125.851 1.66 . . . . 0.0 113.867 -174.804 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpt . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.43 -26.76 0.69 Allowed 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -77.02 168.83 19.42 Favored 'General case' 0 CA--C 1.554 1.109 0 CA-C-N 119.679 1.127 . . . . 0.0 113.07 175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 78.7 mt 72.88 146.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 130.408 3.483 . . . . 0.0 115.026 165.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -130.66 163.08 27.99 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.384 1.474 . . . . 0.0 112.746 164.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.3 t60 -117.2 134.56 54.64 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.343 1.457 . . . . 0.0 111.515 176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -131.35 154.22 48.81 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.209 1.803 . . . . 0.0 110.959 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -140.38 129.32 23.35 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.957 1.303 . . . . 0.0 108.915 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -128.96 139.72 51.98 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.57 1.148 . . . . 0.0 110.801 -173.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -108.11 114.67 28.74 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.084 1.754 . . . . 0.0 109.335 175.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t -149.91 133.43 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 C-N-CA 124.08 0.952 . . . . 0.0 111.063 -159.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.0 t -78.29 131.86 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 125.348 1.459 . . . . 0.0 110.3 175.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.2 ptp -151.5 145.94 25.54 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.282 1.033 . . . . 0.0 110.24 170.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.8 m -61.35 -50.59 72.32 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -158.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 16' ' ' SER . 2.6 t -166.88 -172.59 2.13 Favored 'General case' 0 CA--C 1.566 1.581 0 C-N-CA 125.432 1.493 . . . . 0.0 112.693 -170.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' N ' ' SG ' ' A' ' 15' ' ' CYS . 85.9 p -48.35 -28.34 3.12 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 129.979 3.312 . . . . 0.0 115.826 174.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.91 -46.37 17.36 Favored Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.7 m -57.99 -43.94 86.88 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 118.529 -0.748 . . . . 0.0 112.432 171.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.1 p -68.02 -37.11 81.0 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.96 1.254 . . . . 0.0 112.712 177.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.88 -29.36 73.59 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 119.245 0.929 . . . . 0.0 113.57 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.92 -46.9 22.67 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.8 1.64 . . . . 0.0 112.031 173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.1 t -57.9 -40.57 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 121.136 -0.978 . . . . 0.0 110.062 172.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -55.3 -41.84 72.89 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.689 -0.672 . . . . 0.0 112.327 169.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -64.26 -40.45 96.02 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.658 1.117 . . . . 0.0 113.154 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.48 -40.15 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 CA-C-N 120.015 1.279 . . . . 0.0 110.931 172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.87 -3.6 59.09 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.825 1.25 . . . . 0.0 113.771 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 93.7 m -80.99 -51.08 8.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.418 1.487 . . . . 0.0 109.667 166.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.13 -15.24 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.592 -1.318 . . . . 0.0 114.416 178.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 97.3 mt -95.41 1.53 54.22 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.697 1.599 . . . . 0.0 115.074 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -47.62 -32.92 3.2 Favored Pre-proline 0 N--CA 1.479 0.994 0 N-CA-C 116.097 1.888 . . . . 0.0 116.097 176.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -58.58 -14.1 19.93 Favored 'Trans proline' 0 C--N 1.357 0.985 0 CA-C-N 121.773 1.669 . . . . 0.0 114.827 177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -132.91 -24.03 1.95 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.568 1.547 . . . . 0.0 114.063 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.4 t -86.77 133.16 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 O-C-N 120.356 -1.465 . . . . 0.0 110.565 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.47 -44.97 11.56 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.147 1.379 . . . . 0.0 111.846 -175.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -169.75 149.45 3.8 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.21 1.804 . . . . 0.0 110.445 -170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.6 pt -133.97 168.98 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 125.964 1.706 . . . . 0.0 111.933 161.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -158.27 129.95 6.71 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.264 1.026 . . . . 0.0 111.664 162.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 84.4 mt -99.16 121.61 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.185 0.994 . . . . 0.0 110.274 -174.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.8 m -102.36 77.34 1.64 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.475 1.91 . . . . 0.0 109.29 171.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.41 -37.78 88.59 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.989 1.716 . . . . 0.0 114.037 -165.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.83 -31.66 61.74 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 118.858 0.754 . . . . 0.0 111.739 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -81.26 -3.33 52.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.629 1.172 . . . . 0.0 113.058 174.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 80.39 10.2 1.17 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 127.853 2.461 . . . . 0.0 113.642 172.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 pp -125.26 158.3 34.45 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -166.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.84 134.6 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 127.076 2.15 . . . . 0.0 109.172 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -101.79 138.32 38.92 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.326 1.45 . . . . 0.0 110.822 171.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 44.1 t -138.45 142.52 34.8 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 124.752 1.221 . . . . 0.0 111.583 -174.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -135.49 126.27 27.38 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.579 1.952 . . . . 0.0 109.445 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.9 t -170.63 155.74 5.01 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -172.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 58.4 p -76.02 -5.4 46.23 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 128.913 2.885 . . . . 0.0 114.275 168.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 74.5 mt -81.85 158.7 67.43 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.216 1.406 . . . . 0.0 112.765 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -61.84 167.24 10.64 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 124.345 3.363 . . . . 0.0 113.735 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -77.66 -45.55 24.65 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.432 0.693 . . . . 0.0 111.37 175.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -52.88 -43.14 65.93 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.7 1.2 . . . . 0.0 111.951 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -61.65 -35.04 76.8 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.384 0.673 . . . . 0.0 112.797 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.3 mm -80.8 -41.81 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.429 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.3 mt -52.91 -41.14 64.14 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.09 0.859 . . . . 0.0 111.665 171.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -71.96 -37.2 69.97 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.887 1.675 . . . . 0.0 113.814 177.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' O ' HG23 ' A' ' 63' ' ' THR . 49.5 mmtt -66.69 -44.98 80.27 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.221 1.373 . . . . 0.0 111.554 171.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.47 -54.87 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.418 1.087 . . . . 0.0 110.226 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -47.83 -48.97 30.47 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.975 1.31 . . . . 0.0 112.829 170.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -61.46 -28.97 69.66 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 59' ' ' LYS . 27.0 p -69.2 -15.99 63.51 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.84 7.55 80.98 Favored Glycine 0 N--CA 1.473 1.143 0 C-N-CA 124.541 1.067 . . . . 0.0 114.967 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -91.51 137.77 32.1 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.488 1.515 . . . . 0.0 109.663 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -88.54 126.37 35.23 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.385 -0.822 . . . . 0.0 111.379 -173.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.5 t -82.89 133.1 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 125.085 1.354 . . . . 0.0 110.152 -175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -93.74 -51.47 4.9 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.071 1.348 . . . . 0.0 109.798 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 96.3 p -168.21 169.78 10.66 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.918 1.687 . . . . 0.0 111.249 167.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.71 156.85 26.91 Favored Glycine 0 N--CA 1.471 0.995 0 O-C-N 121.195 -0.941 . . . . 0.0 114.268 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -154.61 160.04 41.21 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.554 1.687 . . . . 0.0 115.554 -171.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -100.78 147.07 26.48 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.705 2.002 . . . . 0.0 111.17 175.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 C--O 1.255 1.376 0 CA-C-O 116.865 -1.54 . . . . 0.0 114.174 -174.502 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 120.715 0.293 . . . . 0.0 111.494 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -145.87 112.94 6.12 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 129.222 3.009 . . . . 0.0 108.281 -167.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -75.13 144.03 43.03 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.977 1.711 . . . . 0.0 112.583 174.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 28.4 m -148.3 156.16 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 126.784 2.034 . . . . 0.0 110.162 165.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 12.3 tt -131.87 142.82 42.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 C-N-CA 123.418 0.687 . . . . 0.0 109.342 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 pp -139.92 146.63 39.46 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.553 1.141 . . . . 0.0 110.528 -172.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -95.68 118.38 32.25 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.541 0.736 . . . . 0.0 109.916 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 t -92.88 74.38 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.557 1.143 . . . . 0.0 108.785 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -28.47 68.65 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.413 -0.805 . . . . 0.0 112.555 -179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.08 16.64 56.67 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.826 1.679 . . . . 0.0 114.653 -178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.4 ptm -62.82 166.06 6.0 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.113 1.457 . . . . 0.0 113.813 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -170.65 144.96 2.43 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 126.582 1.953 . . . . 0.0 110.176 -178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 4.9 t 53.35 -150.97 0.35 Allowed 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 129.113 2.965 . . . . 0.0 113.942 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 80.9 p -118.05 -89.05 0.6 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.729 1.612 . . . . 0.0 111.804 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.37 -22.74 61.81 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.443 1.497 . . . . 0.0 113.265 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 72.2 m -52.04 -41.3 62.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.638 1.575 . . . . 0.0 112.141 170.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.0 p -63.28 -31.89 73.16 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.548 1.139 . . . . 0.0 112.986 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -68.31 -8.27 38.2 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.642 1.11 . . . . 0.0 112.664 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.3 m -55.24 -28.2 51.66 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.737 1.153 . . . . 0.0 110.917 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.4 mt -57.84 -51.38 71.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.734 0.697 . . . . 0.0 110.799 168.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -65.13 -38.6 91.14 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.98 -1.075 . . . . 0.0 111.746 175.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -52.23 -41.3 62.64 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.203 0.91 . . . . 0.0 113.338 169.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -68.98 -51.21 41.85 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.186 0.903 . . . . 0.0 111.54 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 90.1 mt -65.07 -35.32 80.76 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.605 0.638 . . . . 0.0 112.287 -175.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -70.5 -2.62 14.55 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.343 1.457 . . . . 0.0 113.929 171.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.1 -9.48 21.33 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.94 1.296 . . . . 0.0 113.859 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 36.2 mt -91.52 -168.5 2.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.502 1.521 . . . . 0.0 110.586 172.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.1 tttm -127.04 135.95 51.52 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.589 1.156 . . . . 0.0 110.261 167.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 124.36 -32.9 3.97 Favored Glycine 0 N--CA 1.47 0.905 0 CA-C-O 118.023 -1.432 . . . . 0.0 115.471 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.6 t -78.65 123.76 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 120.312 2.056 . . . . 0.0 110.419 -174.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.3 m -86.65 -38.93 16.58 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.485 1.514 . . . . 0.0 112.209 -172.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 tttm -168.44 145.9 4.04 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.445 1.898 . . . . 0.0 111.171 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 47.1 t -127.52 135.25 50.1 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 111.602 174.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -135.67 118.35 16.03 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.87 1.268 . . . . 0.0 112.711 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.87 125.52 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 127.657 2.383 . . . . 0.0 110.116 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 57.8 m -107.41 107.67 18.66 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.315 1.046 . . . . 0.0 111.282 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.0 mt -71.43 -18.28 62.33 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -173.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 92.7 t -71.76 -24.27 23.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.259 0.936 . . . . 0.0 111.666 173.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -125.52 -2.45 7.39 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -172.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.322 12.1 p30 50.64 18.94 0.52 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.07 2.148 . . . . 0.0 115.886 -170.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -78.42 132.85 37.49 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.728 1.211 . . . . 0.0 110.48 175.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t -114.99 121.1 42.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.39 1.476 . . . . 0.0 108.782 171.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -114.47 101.37 9.07 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 125.559 1.543 . . . . 0.0 107.793 -168.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.69 142.07 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 125.714 1.606 . . . . 0.0 110.555 -177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.2 m -129.53 130.55 45.92 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 127.079 2.152 . . . . 0.0 106.157 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -156.62 135.12 11.5 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 122.818 1.294 . . . . 0.0 111.627 -166.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -70.6 149.44 47.07 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 122.134 0.968 . . . . 0.0 110.931 158.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 -70.51 10.99 0.4 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 -161.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -63.85 -15.51 59.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.858 1.263 . . . . 0.0 113.348 167.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.2 p -126.92 163.8 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 127.49 2.316 . . . . 0.0 109.311 169.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.2 t -125.62 151.36 46.6 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.005 1.722 . . . . 0.0 110.828 176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.77 -26.42 68.7 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -68.27 -28.38 67.15 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.654 0.782 . . . . 0.0 111.909 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -73.54 -37.36 65.63 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 120.802 -1.187 . . . . 0.0 111.115 169.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.11 -42.32 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.784 -1.197 . . . . 0.0 110.136 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -65.8 -5.33 8.58 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.529 1.532 . . . . 0.0 114.234 172.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -102.9 -52.3 3.09 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.593 1.557 . . . . 0.0 108.044 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.7 mm -46.74 -52.53 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 127.77 2.428 . . . . 0.0 113.454 171.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 55.0 mt -69.14 -31.48 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.387 0.675 . . . . 0.0 111.071 -177.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -79.63 -28.07 40.93 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 175.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.67 -15.18 52.99 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.202 0.91 . . . . 0.0 113.375 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 3.9 t -66.15 -29.82 70.19 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.992 -1.067 . . . . 0.0 111.613 164.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 110.99 24.98 5.29 Favored Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.139 1.828 . . . . 0.0 115.014 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -109.93 -155.82 0.57 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 118.49 1.145 . . . . 0.0 110.243 173.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -156.74 139.97 15.58 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.261 1.824 . . . . 0.0 107.72 -176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -162.31 156.88 22.03 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 -168.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -129.07 145.26 51.32 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 126.969 2.108 . . . . 0.0 107.289 164.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 39.9 mm -66.93 116.17 5.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 N-CA-C 106.683 -1.599 . . . . 0.0 106.683 167.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -87.04 -47.04 9.26 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.885 1.274 . . . . 0.0 108.821 -164.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.0 mtt180 -157.04 150.51 24.23 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.79 1.636 . . . . 0.0 109.424 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -73.82 23.03 0.08 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.467 1.507 . . . . 0.0 114.89 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--O 1.253 1.289 0 C-N-CA 128.109 2.564 . . . . 0.0 112.939 -178.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 tpt . . . . . 0 N--CA 1.481 1.087 0 CA-C-O 121.7 0.762 . . . . 0.0 110.103 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.84 137.84 42.11 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.819 1.248 . . . . 0.0 112.821 -174.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -119.76 143.87 47.58 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.024 1.33 . . . . 0.0 111.592 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.3 mt -89.33 143.19 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.537 1.535 . . . . 0.0 111.884 -170.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.93 168.41 11.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.394 2.278 . . . . 0.0 111.053 171.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -132.61 133.61 43.87 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.391 1.476 . . . . 0.0 111.153 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -142.15 148.2 37.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.056 1.342 . . . . 0.0 111.876 -174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -141.58 147.03 37.02 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.382 1.073 . . . . 0.0 111.362 178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -143.43 144.45 32.03 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.436 1.494 . . . . 0.0 111.213 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -91.75 119.96 32.05 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.824 1.249 . . . . 0.0 108.831 160.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.8 t -124.42 138.47 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.038 1.335 . . . . 0.0 109.494 -168.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -71.76 110.15 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.7 mtm -130.01 96.59 4.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.473 1.109 . . . . 0.0 109.462 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.6 m -89.31 -51.82 5.37 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 127.074 2.149 . . . . 0.0 112.391 -167.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.7 p -89.84 -161.56 0.79 Allowed 'General case' 0 CA--C 1.555 1.16 0 CA-C-O 122.724 1.249 . . . . 0.0 113.84 -166.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.5 p -93.03 -10.53 35.84 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 127.21 2.204 . . . . 0.0 113.662 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.74 -15.61 6.76 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 125.133 1.349 . . . . 0.0 116.019 -175.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.1 t -65.86 -41.66 91.35 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.662 1.731 . . . . 0.0 112.65 -173.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.54 -21.94 41.38 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.7 1.6 . . . . 0.0 114.191 171.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.94 -43.42 5.39 Favored Glycine 0 CA--C 1.526 0.773 0 C-N-CA 124.983 1.277 . . . . 0.0 111.357 169.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.9 93.88 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.551 1.176 . . . . 0.0 111.966 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.2 p -60.62 -44.77 97.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 122.843 0.457 . . . . 0.0 111.068 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -59.09 -43.32 91.84 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 118.651 0.66 . . . . 0.0 111.479 174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.5 mtpt -61.34 -21.85 64.39 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.081 1.353 . . . . 0.0 114.09 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 t -70.46 -45.72 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 119.757 1.162 . . . . 0.0 111.598 169.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -79.08 -33.7 44.3 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.221 1.008 . . . . 0.0 113.233 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 p -65.25 -15.98 63.06 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.027 1.331 . . . . 0.0 114.349 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -75.78 -5.34 45.32 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.589 1.155 . . . . 0.0 113.124 169.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.3 mt -125.46 22.26 7.72 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.19 1.796 . . . . 0.0 112.818 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -56.3 -24.94 1.56 Allowed Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 116.005 1.854 . . . . 0.0 116.005 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -60.91 -24.49 79.46 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 CA-C-N 121.852 1.697 . . . . 0.0 113.359 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -122.81 -23.46 5.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.997 1.319 . . . . 0.0 114.352 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -89.53 132.4 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 125.345 1.458 . . . . 0.0 109.83 173.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -99.12 -39.51 8.45 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.455 1.502 . . . . 0.0 113.27 -167.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 47.3 tttp -162.25 145.37 11.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.622 1.169 . . . . 0.0 111.998 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 25.7 mt -134.53 143.26 38.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.442 1.497 . . . . 0.0 109.579 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -147.5 125.37 11.95 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.889 1.222 . . . . 0.0 112.262 162.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.6 mm -102.9 117.63 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.156 0.982 . . . . 0.0 110.773 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.0 m -111.87 92.94 4.22 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.718 -1.239 . . . . 0.0 111.036 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.84 -43.32 94.66 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.984 1.314 . . . . 0.0 113.684 -176.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -70.98 -28.11 64.2 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.246 1.018 . . . . 0.0 112.242 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -89.25 -4.3 58.23 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.442 1.097 . . . . 0.0 112.86 170.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 49.93 27.22 2.29 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.24 2.216 . . . . 0.0 114.623 -169.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.5 mt -100.15 150.41 22.53 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.696 1.198 . . . . 0.0 113.141 -174.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -127.22 126.99 68.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 CA-C-N 113.343 -1.753 . . . . 0.0 108.503 168.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -118.04 130.79 56.37 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.16 1.784 . . . . 0.0 110.894 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 40.3 t -139.3 139.97 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.914 0.885 . . . . 0.0 111.778 -170.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -124.57 138.28 54.33 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.264 1.826 . . . . 0.0 109.899 160.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.5 t -168.89 156.42 7.48 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 125.224 1.41 . . . . 0.0 111.378 -174.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.0 p -81.97 -8.06 59.65 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.433 1.493 . . . . 0.0 113.056 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.46 149.32 86.39 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.104 1.362 . . . . 0.0 112.532 -178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -76.41 150.38 32.24 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.823 3.015 . . . . 0.0 111.865 177.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -62.63 -38.26 89.55 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.548 0.739 . . . . 0.0 112.838 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -57.19 -33.2 67.24 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.991 1.317 . . . . 0.0 112.857 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -73.7 -31.67 63.54 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.656 -0.652 . . . . 0.0 112.008 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.3 -41.48 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.004 0.921 . . . . 0.0 110.852 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.7 mt -61.19 -34.92 75.85 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.432 0.693 . . . . 0.0 112.143 177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -74.53 -32.51 62.5 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.81 1.244 . . . . 0.0 113.977 173.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -67.52 -35.68 79.57 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.598 1.09 . . . . 0.0 111.683 167.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 88.5 mt -63.54 -39.89 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 124.131 0.972 . . . . 0.0 111.452 171.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.23 -42.63 99.27 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.915 0.78 . . . . 0.0 111.138 171.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -67.0 -40.2 87.29 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 114.926 1.454 . . . . 0.0 114.926 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 t -76.66 -11.52 59.87 Favored 'General case' 0 N--CA 1.485 1.294 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 -172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -25.39 2.63 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.678 1.608 . . . . 0.0 115.669 171.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -62.47 132.06 51.25 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 118.53 1.165 . . . . 0.0 111.083 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -73.43 151.21 41.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.145 0.578 . . . . 0.0 112.358 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.83 149.59 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.483 1.113 . . . . 0.0 111.385 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -102.43 -31.74 10.32 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.398 1.079 . . . . 0.0 112.821 178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.1 p -171.95 169.67 5.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.265 1.826 . . . . 0.0 110.597 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 166.12 164.62 22.0 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 121.509 -0.744 . . . . 0.0 114.254 178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -168.53 171.44 8.93 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.339 1.456 . . . . 0.0 114.062 -174.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.09 146.17 25.82 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.315 2.246 . . . . 0.0 111.237 172.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 125.941 1.697 . . . . 0.0 113.165 -173.544 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.954 0 CA-C-O 119.165 -0.445 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -178.93 150.35 0.48 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.803 2.841 . . . . 0.0 107.93 -170.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -140.39 148.12 40.78 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 127.673 2.389 . . . . 0.0 111.577 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 m -152.75 161.01 2.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 126.043 1.737 . . . . 0.0 111.229 178.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 13.1 tt -122.9 135.74 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.225 1.01 . . . . 0.0 109.247 164.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.0 mp -112.15 154.29 25.72 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 126.33 1.852 . . . . 0.0 109.675 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.63 138.74 31.32 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.99 0.516 . . . . 0.0 109.618 159.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -142.37 87.87 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 126.494 1.918 . . . . 0.0 108.06 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -69.47 -13.03 62.13 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -160.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -95.97 7.41 67.34 Favored Glycine 0 CA--C 1.532 1.125 0 CA-C-O 118.294 -1.281 . . . . 0.0 115.479 -167.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 21.2 ptp -85.83 154.95 21.2 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.429 1.614 . . . . 0.0 112.323 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.4 t 167.02 -37.87 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 129.758 3.223 . . . . 0.0 110.963 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 29.1 p -72.77 165.13 25.44 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.882 2.073 . . . . 0.0 113.961 176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 96.9 p -92.76 3.66 55.23 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.288 1.959 . . . . 0.0 116.288 -162.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.21 -24.14 0.74 Allowed 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -63.71 -22.39 66.88 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-N 120.676 1.58 . . . . 0.0 112.672 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 5.3 p -58.45 -47.93 82.4 Favored 'General case' 0 CA--C 1.512 -0.51 0 C-N-CA 125.953 1.701 . . . . 0.0 112.611 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -29.63 69.74 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.088 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 4.8 m -55.54 -33.95 64.26 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.433 1.093 . . . . 0.0 111.005 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.2 mt -62.22 -54.31 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.833 0.742 . . . . 0.0 109.188 176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -63.64 -54.0 42.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.51 1.124 . . . . 0.0 112.622 178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 80.1 m -48.22 -39.74 22.18 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.368 1.467 . . . . 0.0 112.596 177.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -87.13 -53.39 4.89 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 118.462 -0.78 . . . . 0.0 112.909 -179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.311 0.7 OUTLIER -74.8 -28.75 60.85 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 120.128 1.331 . . . . 0.0 112.998 -173.344 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 46.0 ttt85 -57.84 -25.29 60.47 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 119.72 1.146 . . . . 0.0 112.698 170.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -84.4 -0.74 53.86 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 178.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.4 mt -79.95 133.02 36.16 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 119.593 1.088 . . . . 0.0 110.471 175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -61.75 117.09 5.38 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.3 1.04 . . . . 0.0 110.869 -175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 110.21 -25.1 16.79 Favored Glycine 0 CA--C 1.53 1.014 0 C-N-CA 125.784 1.659 . . . . 0.0 113.953 -170.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -74.19 137.06 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 120.529 2.165 . . . . 0.0 111.596 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 60.0 m -106.53 -41.13 5.36 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.575 1.55 . . . . 0.0 111.528 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -165.08 161.16 19.5 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.93 1.292 . . . . 0.0 113.114 178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.0 t -139.1 130.6 27.16 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.152 2.181 . . . . 0.0 110.916 -178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -131.14 167.0 19.87 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 125.89 1.676 . . . . 0.0 110.53 174.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.6 pt -148.7 167.95 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.548 1.539 . . . . 0.0 112.775 -170.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.2 m -138.59 109.94 6.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.973 1.309 . . . . 0.0 111.519 165.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.55 -30.51 67.18 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 126.4 1.88 . . . . 0.0 116.045 -175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 83.5 t -81.54 -34.38 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-N 118.374 0.533 . . . . 0.0 111.264 -177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -102.02 -7.72 22.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.141 1.376 . . . . 0.0 113.795 -172.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 65.12 25.13 12.47 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.468 1.907 . . . . 0.0 112.802 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -87.29 143.9 27.05 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.991 1.717 . . . . 0.0 111.563 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 92.3 m -132.21 121.33 23.51 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.471 1.509 . . . . 0.0 109.857 169.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -113.12 116.28 29.61 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -176.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 45.5 t -116.9 139.18 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.79 2.036 . . . . 0.0 110.701 -173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 100.0 m -123.31 122.36 38.14 Favored 'General case' 0 CA--C 1.518 -0.252 0 C-N-CA 127.382 2.273 . . . . 0.0 106.693 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -152.75 -144.08 0.14 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -165.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -174.57 153.02 1.77 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 129.918 3.287 . . . . 0.0 109.96 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.0 m-80 -75.68 8.79 2.69 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -158.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.03 -19.03 64.9 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.736 1.214 . . . . 0.0 112.679 164.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.15 157.83 38.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 125.747 1.619 . . . . 0.0 109.503 166.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 65.2 p -119.69 158.85 25.63 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.877 1.671 . . . . 0.0 111.983 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.96 58.85 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.95 -37.91 69.88 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.921 1.288 . . . . 0.0 112.657 171.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 75.4 m -66.52 -39.54 88.69 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 121.579 -0.7 . . . . 0.0 110.535 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -58.91 -41.91 84.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 O-C-N 121.167 -0.958 . . . . 0.0 110.17 173.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -67.44 -4.59 11.68 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 174.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -95.83 -54.49 3.32 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.296 -1.503 . . . . 0.0 108.067 169.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 34.4 mm -55.81 -49.22 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 125.518 1.527 . . . . 0.0 112.634 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 44.0 mm -75.99 -23.0 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.325 -0.859 . . . . 0.0 111.509 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -75.68 -27.82 58.43 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 118.766 -0.635 . . . . 0.0 112.643 166.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -79.12 -19.74 50.35 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.812 1.245 . . . . 0.0 113.383 169.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.2 m -72.14 -10.95 60.47 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.355 1.062 . . . . 0.0 113.0 165.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 96.49 19.57 27.28 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.419 1.009 . . . . 0.0 115.01 174.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -98.87 -170.61 1.96 Allowed 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.94 1.37 . . . . 0.0 110.644 172.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -134.62 132.77 39.41 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 127.03 2.132 . . . . 0.0 107.119 169.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.1 p -164.81 163.41 21.25 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 114.884 1.439 . . . . 0.0 114.884 -158.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -172.54 156.14 3.57 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 127.728 2.411 . . . . 0.0 110.498 178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 9.4 tp -49.05 126.95 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.339 1.056 . . . . 0.0 111.385 160.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.6 tp -101.94 -48.82 4.13 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.74 1.216 . . . . 0.0 108.913 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 10.0 ptp85 -170.83 177.22 3.89 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.945 2.098 . . . . 0.0 110.723 171.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -92.33 70.06 5.15 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.533 1.933 . . . . 0.0 111.801 -179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 N--CA 1.486 1.334 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.462 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.43 -35.95 15.72 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -173.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -79.94 140.45 36.65 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -170.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 91.3 mt -77.41 129.8 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 125.011 1.325 . . . . 0.0 110.516 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -96.78 152.9 18.23 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.809 1.644 . . . . 0.0 110.989 164.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -113.36 134.14 54.78 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.949 1.3 . . . . 0.0 110.025 168.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -125.07 144.43 50.41 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.126 1.37 . . . . 0.0 110.303 175.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -134.41 117.5 16.38 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 123.736 0.814 . . . . 0.0 110.112 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -115.04 134.65 55.0 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.963 1.305 . . . . 0.0 111.106 -175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -99.08 122.29 42.12 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.433 1.893 . . . . 0.0 107.281 165.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -139.81 145.22 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.331 1.052 . . . . 0.0 110.41 -161.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 75.7 t -65.33 116.47 4.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 123.619 0.768 . . . . 0.0 110.16 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.6 mtm -142.03 141.22 32.8 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.157 0.983 . . . . 0.0 112.984 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.1 m -139.72 -22.06 0.89 Allowed 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 126.111 1.764 . . . . 0.0 113.427 -167.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -148.2 143.85 27.32 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.975 1.31 . . . . 0.0 111.445 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.0 p -63.49 -24.63 67.9 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.494 1.518 . . . . 0.0 114.369 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.44 -42.9 9.81 Favored Glycine 0 N--CA 1.47 0.933 0 CA-C-N 119.077 0.853 . . . . 0.0 111.722 171.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.6 t -66.11 -31.62 72.59 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.033 1.333 . . . . 0.0 112.932 176.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 p -82.97 -43.02 16.9 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.688 -1.257 . . . . 0.0 111.505 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.02 -19.0 43.11 Favored Glycine 0 C--N 1.341 0.86 0 C-N-CA 125.084 1.326 . . . . 0.0 113.708 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.64 -44.19 37.21 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.181 0.993 . . . . 0.0 112.678 161.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.03 -47.68 92.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.721 1.146 . . . . 0.0 110.701 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -54.97 -55.02 35.4 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.899 0.88 . . . . 0.0 110.789 170.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -70.92 -20.56 62.46 Favored 'General case' 0 CA--C 1.55 0.952 0 N-CA-C 114.538 1.311 . . . . 0.0 114.538 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.41 -54.67 18.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 O-C-N 120.416 -1.428 . . . . 0.0 110.375 163.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.4 mt -77.29 -16.34 59.02 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -168.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 96.0 m -56.03 -27.22 52.28 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.487 1.115 . . . . 0.0 112.435 164.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' B' ' 60' ' ' GLU . 60.7 mttp -62.32 -10.16 10.29 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.281 -1.512 . . . . 0.0 114.001 176.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.2 mt -115.98 22.01 13.32 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.437 1.895 . . . . 0.0 113.193 -173.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -47.24 -35.37 5.96 Favored Pre-proline 0 N--CA 1.481 1.084 0 N-CA-C 117.036 2.235 . . . . 0.0 117.036 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -66.79 -13.18 38.9 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.748 1.632 . . . . 0.0 114.098 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -130.74 -30.95 1.79 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.183 1.793 . . . . 0.0 113.808 -171.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.8 t -109.52 119.01 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.899 2.08 . . . . 0.0 107.295 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.9 p -89.7 -33.93 16.43 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -155.29 141.98 18.9 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.444 1.098 . . . . 0.0 112.802 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.3 mp -123.35 136.87 58.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 125.901 1.68 . . . . 0.0 109.103 164.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -145.85 113.99 6.59 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.338 1.055 . . . . 0.0 112.08 -176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.3 mt -98.32 143.34 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.274 1.43 . . . . 0.0 111.438 -173.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -132.82 88.94 2.57 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.154 1.782 . . . . 0.0 109.742 169.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 tt -66.73 -38.2 86.2 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.353 1.061 . . . . 0.0 113.854 -166.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -63.71 -37.61 87.99 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.234 0.925 . . . . 0.0 110.568 -176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -92.75 10.72 29.61 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.853 1.261 . . . . 0.0 113.027 173.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 57.85 22.21 8.37 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.471 2.308 . . . . 0.0 115.338 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.2 mt -104.13 151.94 22.7 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.332 1.453 . . . . 0.0 113.818 -171.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 28.1 t -137.36 129.85 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.793 2.037 . . . . 0.0 109.01 170.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -102.78 135.58 44.18 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.396 1.478 . . . . 0.0 110.507 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.79 141.39 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.926 1.29 . . . . 0.0 110.685 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -131.13 129.47 41.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.036 1.734 . . . . 0.0 111.008 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -169.32 155.97 6.64 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.876 0.87 . . . . 0.0 113.214 -171.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 p -83.15 -7.54 59.61 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.452 1.501 . . . . 0.0 113.75 167.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.3 mt -73.33 164.28 62.17 Favored Pre-proline 0 CA--C 1.548 0.89 0 C-N-CA 125.779 1.632 . . . . 0.0 114.104 -175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -61.17 149.39 89.46 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.048 3.165 . . . . 0.0 112.929 171.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -67.35 -47.16 71.24 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.85 0.86 . . . . 0.0 111.731 176.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -63.22 -23.14 67.3 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.642 1.177 . . . . 0.0 112.936 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -67.26 -41.88 84.81 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.762 -0.586 . . . . 0.0 110.959 173.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.9 mm -69.06 -34.81 65.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 123.775 0.83 . . . . 0.0 111.989 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 82.1 mt -53.76 -42.31 68.1 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.923 0.889 . . . . 0.0 112.422 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.42 -30.33 57.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.914 1.286 . . . . 0.0 113.809 178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -68.57 -37.97 80.32 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.641 1.109 . . . . 0.0 110.969 172.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 98.0 mt -64.56 -50.55 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 121.594 -0.691 . . . . 0.0 110.27 171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -53.34 -40.28 64.75 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.056 0.844 . . . . 0.0 112.392 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -54.61 -30.26 54.17 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 32.5 p -77.83 19.09 0.42 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.792 1.237 . . . . 0.0 114.16 175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.9 9.15 85.2 Favored Glycine 0 N--CA 1.469 0.838 0 C-N-CA 125.385 1.469 . . . . 0.0 115.061 163.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.6 150.97 48.58 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -165.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -86.21 139.85 30.68 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.4 t -88.85 126.35 41.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 125.529 1.532 . . . . 0.0 108.656 172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 88.6 mtt-85 -78.48 -42.03 30.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.432 1.493 . . . . 0.0 111.436 177.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 p -169.88 149.08 3.63 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.196 1.399 . . . . 0.0 112.758 165.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -127.13 141.06 12.33 Favored Glycine 0 N--CA 1.474 1.195 0 C-N-CA 125.289 1.423 . . . . 0.0 113.565 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -124.83 151.49 45.16 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.694 1.198 . . . . 0.0 113.184 178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.37 128.4 52.2 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.236 2.214 . . . . 0.0 108.764 166.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 123.975 0.91 . . . . 0.0 112.254 -169.425 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -168.09 148.21 4.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 127.997 2.519 . . . . 0.0 107.204 -176.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -134.99 151.41 50.8 Favored 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.838 2.055 . . . . 0.0 111.704 -175.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.0 p -162.29 135.42 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.345 1.058 . . . . 0.0 111.217 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -118.39 137.42 52.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 171.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.539 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 3.9 pp -139.13 141.51 38.06 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.972 0.909 . . . . 0.0 111.25 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.04 111.14 22.47 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.016 0.826 . . . . 0.0 110.202 172.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 1.5 p -89.77 113.06 25.44 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.014 0.926 . . . . 0.0 110.886 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -78.72 -3.76 45.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.826 1.251 . . . . 0.0 113.997 -172.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.14 3.48 28.43 Favored Glycine 0 N--CA 1.473 1.166 0 N-CA-C 116.459 1.344 . . . . 0.0 116.459 -164.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -107.24 151.96 24.75 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 118.826 1.313 . . . . 0.0 113.884 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.85 -49.08 1.75 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.202 1.001 . . . . 0.0 112.352 -174.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.8 p -145.55 -168.79 3.06 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 125.203 1.401 . . . . 0.0 113.221 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 20.0 m -72.93 4.66 3.95 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.604 1.562 . . . . 0.0 114.29 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -91.23 -48.55 6.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.504 1.122 . . . . 0.0 109.89 163.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 60.3 m -55.95 -39.88 72.37 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.06 1.344 . . . . 0.0 112.329 177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 25.0 p -66.75 -54.47 22.51 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 124.58 1.152 . . . . 0.0 111.682 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -70.33 -17.32 63.06 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 120.128 1.331 . . . . 0.0 113.248 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -70.0 -19.17 63.34 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.619 -0.676 . . . . 0.0 111.276 167.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 37.9 mt -95.7 -64.56 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 124.486 1.114 . . . . 0.0 110.303 169.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -56.0 -54.95 38.65 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.135 1.374 . . . . 0.0 111.918 -169.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.9 m -53.78 -34.75 60.04 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.663 1.12 . . . . 0.0 113.017 176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -78.18 -43.87 27.4 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 118.826 0.739 . . . . 0.0 112.081 -178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.0 mt -75.51 -43.42 49.06 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.737 0.815 . . . . 0.0 112.296 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -54.87 -28.51 50.72 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.361 1.065 . . . . 0.0 113.06 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.23 0.71 15.57 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.297 1.439 . . . . 0.0 114.866 176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.1 mt -76.66 123.94 26.9 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 119.645 1.111 . . . . 0.0 110.953 173.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -65.94 105.67 1.38 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.651 0.78 . . . . 0.0 110.104 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 132.89 -24.5 3.82 Favored Glycine 0 CA--C 1.531 1.083 0 C-N-CA 126.643 2.068 . . . . 0.0 113.728 -169.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.46 140.56 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 118.904 1.352 . . . . 0.0 110.67 175.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 34.9 p -120.36 -32.34 4.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.266 1.827 . . . . 0.0 113.535 -173.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -143.69 153.98 43.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.934 1.694 . . . . 0.0 110.33 167.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 35.7 t -147.87 136.31 21.57 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.172 0.989 . . . . 0.0 111.258 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -151.37 159.61 44.18 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.259 1.824 . . . . 0.0 111.72 -176.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 27.7 mt -150.17 136.08 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.261 2.225 . . . . 0.0 109.639 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 m -119.55 137.33 53.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.091 0.956 . . . . 0.0 110.952 166.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 mp -92.14 -29.59 16.42 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.391 1.077 . . . . 0.0 113.706 -155.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -76.63 -20.55 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 C-N-CA 125.217 1.407 . . . . 0.0 111.773 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 38.5 p -127.17 10.31 6.86 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.295 2.238 . . . . 0.0 112.637 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.6 m120 65.5 8.76 5.29 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.793 1.637 . . . . 0.0 114.353 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -89.95 122.56 33.09 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.308 1.043 . . . . 0.0 112.498 -166.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.7 t -113.45 126.74 55.67 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.152 2.181 . . . . 0.0 110.002 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -114.35 103.02 10.65 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.239 1.815 . . . . 0.0 108.597 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.51 134.09 50.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 125.468 1.507 . . . . 0.0 110.424 177.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 95.2 m -134.03 121.72 21.97 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.991 1.316 . . . . 0.0 108.825 -168.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -147.4 -151.46 0.39 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.792 1.237 . . . . 0.0 111.21 -161.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -160.75 163.69 32.11 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 127.787 2.435 . . . . 0.0 110.706 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -67.4 -0.46 3.68 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 117.309 2.337 . . . . 0.0 117.309 -154.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -63.39 -27.44 69.31 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.465 1.029 . . . . 0.0 111.739 161.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 78.1 t -107.14 152.76 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.207 1.803 . . . . 0.0 108.365 169.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.9 t -134.5 144.07 47.84 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.813 1.645 . . . . 0.0 110.649 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -24.47 49.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.196 1.398 . . . . 0.0 113.445 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.29 -38.49 68.77 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.194 0.998 . . . . 0.0 112.186 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 62.8 m -69.76 -39.92 76.42 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 121.226 -0.921 . . . . 0.0 110.295 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 90.5 mt -54.8 -47.35 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 O-C-N 121.616 -0.677 . . . . 0.0 110.104 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.4 tttm -70.06 4.56 2.05 Favored 'General case' 0 CA--C 1.554 1.13 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.07 -38.29 4.22 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.101 -1.624 . . . . 0.0 110.265 170.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 58.9 mt -72.32 -39.65 63.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 125.189 1.396 . . . . 0.0 111.736 176.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 12.0 tt -63.93 -26.85 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.385 0.993 . . . . 0.0 111.363 174.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.412 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 75.2 mt-10 -80.9 -33.26 34.39 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.239 0.615 . . . . 0.0 111.113 173.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -67.06 -23.97 65.92 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.131 1.373 . . . . 0.0 112.685 171.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -81.46 -14.99 56.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.983 1.313 . . . . 0.0 113.185 169.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.2 15.76 22.72 Favored Glycine 0 N--CA 1.474 1.215 0 C-N-CA 124.967 1.27 . . . . 0.0 116.202 175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -114.96 -167.09 1.18 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.171 1.388 . . . . 0.0 110.11 -177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -169.24 140.94 2.45 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 124.842 1.257 . . . . 0.0 110.065 -164.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 23.2 p -161.05 172.75 16.3 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.705 1.202 . . . . 0.0 112.191 -176.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.45 -0.95 21.91 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 178.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 41.3 mm 47.36 78.71 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 C-N-CA 128.392 2.677 . . . . 0.0 110.095 -161.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.539 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.284 0.5 OUTLIER -54.04 -44.78 71.31 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 115.056 1.502 . . . . 0.0 115.056 -166.044 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -170.26 140.3 1.87 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.195 1.798 . . . . 0.0 112.086 178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.85 36.31 0.39 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 128.912 2.885 . . . . 0.0 114.136 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 C--O 1.256 1.424 0 C-N-CA 127.358 2.263 . . . . 0.0 116.932 -158.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 tmm? . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.62 166.72 15.91 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.439 1.496 . . . . 0.0 112.137 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.3 tt0 -66.18 137.1 56.76 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.62 0.768 . . . . 0.0 111.145 171.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 75.9 mt -72.64 136.11 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 123.448 0.699 . . . . 0.0 109.791 174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -111.97 146.2 38.27 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.957 1.703 . . . . 0.0 111.643 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -105.69 125.65 51.24 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.418 0.687 . . . . 0.0 111.61 177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -128.02 157.62 40.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.532 1.533 . . . . 0.0 111.111 178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -152.83 131.76 12.52 Favored 'General case' 0 N--CA 1.468 0.475 0 O-C-N 121.48 -0.763 . . . . 0.0 112.169 -174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -130.05 151.11 50.95 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.99 1.716 . . . . 0.0 110.67 -175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -111.06 127.78 55.66 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.208 1.403 . . . . 0.0 109.839 170.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.7 t -138.26 138.41 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 124.367 1.067 . . . . 0.0 109.569 -167.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.24 114.37 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.613 0.765 . . . . 0.0 109.898 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.67 118.3 13.97 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.89 0.876 . . . . 0.0 112.261 -175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 p -70.12 -38.3 75.56 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.891 1.677 . . . . 0.0 114.539 -174.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 29.2 p -169.04 177.16 5.01 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-O 122.097 0.951 . . . . 0.0 113.352 -150.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.1 m -68.31 -6.67 25.36 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.771 -1.206 . . . . 0.0 113.973 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.2 -41.25 94.95 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-N 119.282 0.947 . . . . 0.0 111.154 167.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.2 m -59.44 -48.16 82.7 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.809 0.843 . . . . 0.0 111.2 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 m -57.5 -25.94 60.55 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.3 -63.72 1.92 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.58 -43.35 89.41 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.8 t -64.97 -46.2 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.552 0.615 . . . . 0.0 110.773 -175.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.81 -42.55 89.43 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.997 0.817 . . . . 0.0 110.677 171.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -71.07 3.74 3.21 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.643 1.577 . . . . 0.0 114.997 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.4 -51.77 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 O-C-N 120.721 -1.237 . . . . 0.0 110.798 156.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.12 -15.44 61.48 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 19.1 p -57.09 -23.72 48.92 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.181 1.793 . . . . 0.0 113.877 172.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -71.86 -11.87 61.0 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 124.841 1.257 . . . . 0.0 113.442 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.6 mt -123.7 17.56 9.52 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.056 1.742 . . . . 0.0 113.441 -169.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -54.25 -27.65 3.0 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -58.98 -24.11 71.6 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 CA-C-N 121.635 1.62 . . . . 0.0 113.752 172.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -115.95 -34.32 4.8 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.828 1.651 . . . . 0.0 113.644 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 52.4 t -88.27 131.68 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.246 1.418 . . . . 0.0 110.025 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.0 p -99.85 -36.19 9.51 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.117 0.967 . . . . 0.0 113.277 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -156.21 143.91 19.44 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.053 0.941 . . . . 0.0 112.341 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.09 138.89 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.531 1.533 . . . . 0.0 108.266 167.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -130.39 123.24 29.43 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.09 0.859 . . . . 0.0 112.134 165.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 85.8 mt -96.98 131.03 44.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.427 1.491 . . . . 0.0 108.494 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 m -114.19 85.23 2.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.163 1.385 . . . . 0.0 108.885 173.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.5 tp -55.91 -51.66 66.84 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.973 1.309 . . . . 0.0 113.193 -167.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -67.18 -34.18 76.98 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.281 1.032 . . . . 0.0 111.197 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -81.88 -1.58 48.2 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.461 1.504 . . . . 0.0 112.903 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 56.85 18.7 3.98 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.474 2.71 . . . . 0.0 115.336 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.1 mt -100.23 153.84 18.95 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.277 1.431 . . . . 0.0 113.204 -174.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -133.92 126.22 50.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.331 1.853 . . . . 0.0 108.712 171.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.59 132.1 54.45 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.397 1.879 . . . . 0.0 109.323 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -128.02 141.66 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.402 1.081 . . . . 0.0 110.882 -172.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -128.03 115.29 18.26 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.238 1.815 . . . . 0.0 110.333 173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 163.4 31.84 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.819 0.848 . . . . 0.0 112.618 -173.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.6 p -96.84 -15.43 21.27 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.871 2.068 . . . . 0.0 114.05 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.74 164.32 24.47 Favored Pre-proline 0 CA--C 1.55 0.958 0 C-N-CA 124.543 1.137 . . . . 0.0 112.218 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -64.88 147.48 89.38 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.522 2.814 . . . . 0.0 116.223 -168.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -54.0 -40.21 66.75 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.122 1.769 . . . . 0.0 111.769 164.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -56.95 -25.04 57.04 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.667 1.587 . . . . 0.0 114.232 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -91.57 -40.0 11.59 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.699 0.681 . . . . 0.0 111.708 174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.0 mm -59.97 -42.68 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 121.498 -0.751 . . . . 0.0 111.66 175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 pp -63.52 -31.89 73.19 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.825 0.739 . . . . 0.0 112.287 178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -76.9 -21.39 54.98 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.479 1.112 . . . . 0.0 113.918 174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -67.23 -54.33 21.97 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.881 1.219 . . . . 0.0 109.968 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 23.5 mt -68.54 -37.05 77.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 122.992 0.517 . . . . 0.0 111.648 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -57.52 -35.14 69.87 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.373 -1.454 . . . . 0.0 112.289 171.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 37.2 tttp -88.57 1.65 54.53 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.167 1.387 . . . . 0.0 114.368 176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 27.9 m -84.97 -27.77 26.27 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 112.3 167.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -25.29 18.99 Favored Glycine 0 N--CA 1.473 1.148 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 169.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.12 132.15 49.62 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.732 1.266 . . . . 0.0 109.818 168.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.67 132.12 48.03 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.699 0.681 . . . . 0.0 112.456 -168.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.37 111.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 -77.85 -33.8 52.04 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.198 0.599 . . . . 0.0 112.063 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -158.98 159.27 34.64 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 121.415 -0.803 . . . . 0.0 111.111 173.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -154.16 132.94 3.71 Favored Glycine 0 N--CA 1.466 0.681 0 C-N-CA 123.928 0.775 . . . . 0.0 112.5 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -146.83 153.86 40.66 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-O 122.667 1.223 . . . . 0.0 113.981 -173.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -105.35 139.36 40.11 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 126.086 1.754 . . . . 0.0 108.716 162.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.784 1.234 . . . . 0.0 111.553 -165.716 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.678 0 CA-C-O 121.72 0.772 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -140.65 114.06 8.66 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 128.616 2.766 . . . . 0.0 108.878 177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -70.65 144.23 51.16 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 124.17 0.988 . . . . 0.0 110.209 154.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -149.01 143.28 18.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 126.044 1.738 . . . . 0.0 109.51 168.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -120.85 127.38 75.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 C-N-CA 126.042 1.737 . . . . 0.0 107.106 -175.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 mp -124.74 145.6 49.63 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.049 0.84 . . . . 0.0 110.254 175.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.64 148.97 44.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 119.057 -0.496 . . . . 0.0 110.148 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -139.01 102.11 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 125.888 1.675 . . . . 0.0 107.963 178.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -83.33 -3.96 57.99 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 115.408 1.632 . . . . 0.0 115.408 -158.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -116.29 11.78 16.76 Favored Glycine 0 N--CA 1.477 1.371 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -171.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 33.3 mtt -41.03 -57.11 2.11 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 -164.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.0 m 71.52 -68.21 0.23 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.832 2.053 . . . . 0.0 112.547 175.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 14.9 t -94.99 -172.41 2.69 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 126.447 1.899 . . . . 0.0 115.57 -156.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 9.0 m -126.82 7.15 6.72 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.901 2.48 . . . . 0.0 112.978 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -132.01 -44.64 0.95 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.276 1.83 . . . . 0.0 111.171 174.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 62.8 m -70.79 -19.91 62.64 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -178.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.0 p -59.96 -44.97 94.1 Favored 'General case' 0 CA--C 1.518 -0.281 0 C-N-CA 124.998 1.319 . . . . 0.0 111.348 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.17 -13.6 62.51 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 117.796 -1.097 . . . . 0.0 112.419 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 54.1 m -59.34 -28.3 66.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.089 1.313 . . . . 0.0 111.061 167.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.71 -45.2 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 119.344 0.974 . . . . 0.0 109.932 172.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -63.62 -45.15 91.59 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.383 170.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 30.4 m -50.68 -40.37 53.57 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-N 120.151 1.341 . . . . 0.0 113.368 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -79.84 -47.87 14.44 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.934 0.788 . . . . 0.0 112.522 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.99 -41.18 99.51 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.601 1.091 . . . . 0.0 112.308 -177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -65.41 -9.42 25.02 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.217 1.192 . . . . 0.0 114.217 178.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -95.33 1.09 54.27 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.21 1.404 . . . . 0.0 113.606 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 94.8 mt -95.41 124.7 39.57 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.659 1.184 . . . . 0.0 111.536 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -63.44 112.79 2.9 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.156 0.982 . . . . 0.0 110.616 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.18 -31.55 4.02 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 126.118 1.818 . . . . 0.0 114.624 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 94.9 t -69.38 126.97 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 CA-C-N 118.899 1.35 . . . . 0.0 110.347 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 70.6 p -101.83 -24.6 14.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.185 0.994 . . . . 0.0 113.068 -177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -160.81 144.2 13.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.48 1.512 . . . . 0.0 110.554 167.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.6 p -143.28 142.97 31.53 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.246 1.019 . . . . 0.0 111.635 173.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -162.08 -173.23 3.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.608 1.563 . . . . 0.0 110.447 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.7 pp -140.33 167.71 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.953 2.101 . . . . 0.0 111.528 -177.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 72.4 m -157.28 160.67 38.81 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.334 1.853 . . . . 0.0 110.09 172.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.89 32.86 5.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.067 1.347 . . . . 0.0 112.005 -167.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.3 t -89.65 -45.91 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.61 1.164 . . . . 0.0 109.797 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 35.7 p -120.1 8.8 11.01 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.27 1.428 . . . . 0.0 112.13 162.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 66.47 75.15 0.33 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.687 2.395 . . . . 0.0 109.426 -175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -124.56 147.8 48.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.871 1.669 . . . . 0.0 112.901 -165.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 24.1 p -105.09 139.54 39.61 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.262 1.025 . . . . 0.0 111.299 167.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -117.92 92.66 3.89 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.888 1.675 . . . . 0.0 108.191 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.5 p -122.33 142.58 38.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.47 0.708 . . . . 0.0 112.286 -174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.8 m -138.04 139.35 39.54 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 126.258 1.823 . . . . 0.0 108.442 -173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -153.62 153.18 31.83 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-O 123.427 1.584 . . . . 0.0 110.935 -166.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 -103.75 162.94 12.67 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 113.41 -1.723 . . . . 0.0 109.784 147.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.318 0.0 OUTLIER 99.64 155.11 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 130.481 3.512 . . . . 0.0 112.674 -177.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -71.75 34.33 0.06 Allowed 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 127.203 2.201 . . . . 0.0 114.864 -175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -75.46 153.65 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 O-C-N 120.157 -1.589 . . . . 0.0 111.271 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -120.34 147.17 45.37 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 126.715 2.006 . . . . 0.0 111.623 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -25.73 54.15 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.774 1.23 . . . . 0.0 114.081 176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -69.32 -26.39 64.69 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.484 1.114 . . . . 0.0 113.245 176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 37.8 m -71.5 -37.24 71.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.867 0.467 . . . . 0.0 110.858 167.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.8 mt -66.71 -39.63 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.377 0.671 . . . . 0.0 109.857 178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -65.95 32.49 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 126.994 2.117 . . . . 0.0 114.338 166.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -151.6 -42.83 0.11 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.337 2.655 . . . . 0.0 109.086 175.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 10.1 mm -51.22 -52.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 124.186 0.994 . . . . 0.0 111.517 166.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 64.6 mt -69.5 -23.14 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.269 1.028 . . . . 0.0 111.555 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -75.78 -32.44 59.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.8 -0.562 . . . . 0.0 112.178 178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -80.43 -15.61 56.38 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.891 0.877 . . . . 0.0 112.778 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 83.6 m -70.46 -11.72 61.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.498 0.719 . . . . 0.0 112.894 164.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 97.52 17.41 31.23 Favored Glycine 0 N--CA 1.47 0.924 0 CA-C-O 118.662 -1.076 . . . . 0.0 114.921 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -121.28 -163.52 1.05 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.887 1.343 . . . . 0.0 111.478 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -156.38 149.4 24.13 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.92 2.088 . . . . 0.0 109.071 -174.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 25.0 p -167.16 155.32 9.55 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 -151.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -151.91 140.46 20.68 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 126.873 2.069 . . . . 0.0 108.879 172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 12.2 tt -55.62 128.09 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-O 121.907 0.86 . . . . 0.0 111.871 175.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 tp -95.28 -54.16 3.51 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.785 1.234 . . . . 0.0 107.977 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.1 mtm105 -151.83 141.31 21.62 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 126.141 1.777 . . . . 0.0 111.621 -175.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -67.86 32.52 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 129.432 3.093 . . . . 0.0 114.257 166.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--O 1.255 1.349 0 C-N-CA 129.311 3.045 . . . . 0.0 110.4 -157.802 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.21 -11.78 0.05 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.661 1.584 . . . . 0.0 114.7 -173.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -73.53 160.45 31.66 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.715 1.206 . . . . 0.0 110.715 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 79.2 mt -60.89 129.72 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.208 1.003 . . . . 0.0 112.095 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -114.23 160.06 19.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.944 2.098 . . . . 0.0 112.624 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -108.98 135.47 50.11 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.426 1.49 . . . . 0.0 113.258 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -130.41 152.95 49.25 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.682 1.593 . . . . 0.0 111.368 168.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -147.05 126.46 13.15 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.335 -0.853 . . . . 0.0 111.383 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.26 147.88 49.6 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.78 1.632 . . . . 0.0 111.397 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -99.81 123.36 43.98 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.687 1.195 . . . . 0.0 108.992 162.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -123.32 135.67 62.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.977 1.311 . . . . 0.0 109.621 -172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.0 t -72.14 116.24 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.15 0.98 . . . . 0.0 109.812 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.1 mtm -137.96 125.05 21.47 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.661 1.184 . . . . 0.0 110.756 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 91.6 m -75.3 -45.83 37.27 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.794 1.238 . . . . 0.0 112.053 -175.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -147.61 179.2 7.86 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -169.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.4 p -57.54 -24.42 55.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.741 1.616 . . . . 0.0 114.175 172.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.19 -28.45 56.02 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.398 -0.814 . . . . 0.0 112.21 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.5 m -70.16 -50.91 35.65 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.375 1.088 . . . . 0.0 111.016 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.2 p -67.98 -18.68 64.81 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 175.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.0 -53.35 9.46 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 124.081 0.848 . . . . 0.0 111.509 166.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.67 -48.22 81.8 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.7 0.8 . . . . 0.0 112.254 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -57.93 -45.91 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 123.27 0.628 . . . . 0.0 110.934 176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -60.38 -37.79 81.87 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 119.013 0.824 . . . . 0.0 112.859 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.4 tttp -62.07 -45.0 95.46 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.469 175.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG21 HG22 ' A' ' 63' ' ' THR . 10.1 t -65.14 -49.82 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 119.232 0.924 . . . . 0.0 111.817 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.71 -39.63 89.25 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.044 0.838 . . . . 0.0 112.383 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 52.7 m -60.91 -30.91 70.47 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.61 0.764 . . . . 0.0 112.234 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -60.56 -17.52 46.62 Favored 'General case' 0 CA--C 1.551 0.989 0 O-C-N 120.635 -1.29 . . . . 0.0 113.606 175.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.1 mt -97.97 7.34 46.5 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.506 1.523 . . . . 0.0 114.23 -177.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -52.66 -24.46 0.97 Allowed Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 116.639 2.088 . . . . 0.0 116.639 171.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -59.08 -18.2 42.34 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 CA-C-N 121.874 1.705 . . . . 0.0 114.226 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -133.25 -18.5 2.26 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.022 1.329 . . . . 0.0 114.57 171.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.5 t -87.23 138.33 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 C-N-CA 126.146 1.778 . . . . 0.0 109.923 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.9 p -114.81 -14.53 11.95 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -149.33 139.37 22.08 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.312 0.96 . . . . 0.0 112.824 170.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 54.8 mt -129.98 142.74 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.42 1.888 . . . . 0.0 108.627 176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -146.18 110.32 5.0 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.372 -0.83 . . . . 0.0 112.244 160.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.5 mm -91.84 144.97 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 124.78 1.232 . . . . 0.0 110.146 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.0 p -142.35 137.41 30.48 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.736 -1.227 . . . . 0.0 112.407 168.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.3 tp -84.29 -50.44 7.85 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.49 -0.756 . . . . 0.0 110.931 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -57.46 -45.51 84.69 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 118.848 0.749 . . . . 0.0 111.792 -173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -96.57 0.9 50.72 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 59.91 19.78 8.76 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.127 2.171 . . . . 0.0 115.676 175.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.3 mt -94.69 149.08 21.61 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 122.401 1.096 . . . . 0.0 113.415 -171.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.0 t -129.1 111.59 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.36 2.264 . . . . 0.0 107.875 173.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -106.75 130.21 54.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.16 1.384 . . . . 0.0 110.606 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.12 139.37 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.985 0.914 . . . . 0.0 111.291 -171.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -125.46 124.96 42.54 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.195 1.398 . . . . 0.0 110.554 161.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -163.89 162.95 23.81 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.025 0.93 . . . . 0.0 112.842 -170.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.1 p -86.0 -13.9 46.17 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.013 1.725 . . . . 0.0 113.351 163.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -63.41 145.17 97.35 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 119.819 1.19 . . . . 0.0 112.289 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.04 144.55 99.46 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.292 2.661 . . . . 0.0 113.026 173.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -55.77 -42.1 75.01 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.043 0.937 . . . . 0.0 112.198 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -65.12 -26.02 68.02 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.263 1.825 . . . . 0.0 113.29 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -81.34 -44.34 17.75 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.498 1.119 . . . . 0.0 110.913 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 29.5 mm -58.67 -42.64 85.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 176.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.3 -33.04 74.85 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 117.885 -1.055 . . . . 0.0 112.922 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.49 -29.54 64.94 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 120.398 1.454 . . . . 0.0 112.714 171.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -70.48 -43.2 70.26 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 120.418 -1.426 . . . . 0.0 112.084 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.89 -49.82 79.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.304 1.042 . . . . 0.0 110.468 169.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -62.09 -37.45 85.09 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.33 -0.856 . . . . 0.0 112.395 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -60.86 -14.3 21.12 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.423 HG22 HG21 ' A' ' 25' ' ' VAL . 13.8 p -77.47 -16.52 58.7 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.775 1.17 . . . . 0.0 113.497 173.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.7 -16.05 43.4 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.386 1.469 . . . . 0.0 114.78 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -78.39 137.06 37.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.718 1.207 . . . . 0.0 111.196 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 161.48 30.9 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 176.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -113.98 136.98 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.955 1.702 . . . . 0.0 110.612 176.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.83 -37.3 10.79 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.417 1.087 . . . . 0.0 112.383 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 97.1 p -151.64 154.4 36.32 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.366 1.066 . . . . 0.0 111.528 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -150.16 127.12 2.32 Favored Glycine 0 N--CA 1.465 0.606 0 C-N-CA 124.357 0.98 . . . . 0.0 111.531 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -131.41 148.31 52.64 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.921 1.288 . . . . 0.0 112.139 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -117.16 131.56 56.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.426 2.69 . . . . 0.0 109.684 173.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.257 1.462 0 C-N-CA 124.86 1.264 . . . . 0.0 113.157 -169.392 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 179.85 147.81 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 129.419 3.087 . . . . 0.0 107.029 -176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -137.16 157.02 47.6 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 126.632 1.973 . . . . 0.0 110.352 174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.9 p -159.03 142.17 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.476 1.11 . . . . 0.0 111.081 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 19.4 mm -114.17 125.3 71.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.988 1.315 . . . . 0.0 107.843 170.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.18 144.29 40.57 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 118.665 0.666 . . . . 0.0 110.628 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.7 136.01 39.09 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 158.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.06 96.94 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -69.92 -22.55 63.19 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 -152.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.8 -11.19 47.65 Favored Glycine 0 CA--C 1.534 1.258 0 CA-C-O 118.134 -1.37 . . . . 0.0 116.315 -174.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 4.0 ptm -85.16 140.39 30.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 120.033 1.917 . . . . 0.0 113.585 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -157.06 -17.47 0.09 Allowed 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 125.17 1.388 . . . . 0.0 114.288 178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 39.6 t -94.04 152.43 18.8 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 125.937 1.695 . . . . 0.0 114.215 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 18.2 m -73.94 -2.88 25.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.646 1.578 . . . . 0.0 113.859 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -103.01 -46.83 4.54 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.713 1.142 . . . . 0.0 112.153 173.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 82.4 m -56.87 -32.1 65.5 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.586 1.554 . . . . 0.0 113.385 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 4.3 p -77.16 -35.28 56.11 Favored 'General case' 0 CA--C 1.518 -0.262 0 C-N-CA 125.489 1.516 . . . . 0.0 113.303 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -25.54 67.25 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.48 1.036 . . . . 0.0 112.027 -178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.8 m -47.53 -42.66 23.81 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.491 1.516 . . . . 0.0 111.51 172.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 93.7 mt -68.83 -41.23 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 122.867 0.467 . . . . 0.0 110.431 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -64.37 -48.99 73.39 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.67 -0.644 . . . . 0.0 111.874 173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 57.8 m -55.07 -36.72 65.91 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.283 1.433 . . . . 0.0 113.359 175.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -80.01 -45.18 18.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.354 175.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.93 -41.39 36.51 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 119.68 1.127 . . . . 0.0 113.656 -175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -62.2 -24.01 66.96 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.805 1.184 . . . . 0.0 112.879 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.62 -16.1 45.35 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.637 1.175 . . . . 0.0 113.914 173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 64.1 mt -94.08 164.84 12.91 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.68 1.592 . . . . 0.0 112.596 -178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -67.9 162.23 24.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.56 1.144 . . . . 0.0 112.66 169.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.08 -46.61 1.84 Allowed Glycine 0 N--CA 1.478 1.444 0 O-C-N 120.184 -1.572 . . . . 0.0 114.876 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 84.9 t -54.53 130.29 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 127.187 2.195 . . . . 0.0 111.16 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 3.6 p -126.69 -29.78 2.85 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 -175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -152.59 119.64 5.83 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.859 0.864 . . . . 0.0 111.029 -178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 73.1 m -109.38 128.05 54.82 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.811 1.244 . . . . 0.0 110.925 169.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -142.55 172.82 12.18 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.688 1.595 . . . . 0.0 109.894 175.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.29 158.93 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 126.637 1.975 . . . . 0.0 111.627 -171.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.0 m -124.59 130.76 53.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.438 0.695 . . . . 0.0 110.688 157.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 81.6 mt -81.4 -38.26 26.81 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.658 1.183 . . . . 0.0 114.131 -163.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 99.2 t -74.81 -35.66 37.21 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 CA-C-N 119.242 0.928 . . . . 0.0 111.665 -176.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.1 p -90.06 -11.39 41.56 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.231 1.413 . . . . 0.0 113.573 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 6.8 m120 69.47 37.39 2.0 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.133 1.773 . . . . 0.0 111.912 173.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -113.81 140.81 48.01 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.327 1.051 . . . . 0.0 112.729 -173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 68.2 m -103.01 133.46 48.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.208 1.403 . . . . 0.0 110.151 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -121.91 102.78 8.39 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.532 1.533 . . . . 0.0 107.652 -174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 97.3 t -122.8 142.21 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 124.328 1.051 . . . . 0.0 112.315 -170.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.0 m -122.82 133.11 54.46 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 127.257 2.223 . . . . 0.0 108.085 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -153.47 -144.6 0.15 Allowed 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.478 1.111 . . . . 0.0 111.961 -171.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -168.86 159.01 9.27 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.461 2.704 . . . . 0.0 111.113 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 -71.12 18.9 0.06 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.96 2.104 . . . . 0.0 115.129 -168.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -79.12 -18.19 53.69 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.088 0.955 . . . . 0.0 111.696 156.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 84.1 t -128.47 151.72 35.64 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 126.256 1.822 . . . . 0.0 109.398 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 4.1 t -114.56 143.4 45.05 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.132 0.973 . . . . 0.0 113.194 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.0 -25.11 57.96 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.236 1.014 . . . . 0.0 113.505 169.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -70.03 -17.58 63.27 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.765 1.226 . . . . 0.0 113.49 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 58.2 m -92.52 -32.58 14.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.714 0.806 . . . . 0.0 111.584 166.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 65.5 mt -58.67 -39.51 76.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 O-C-N 120.883 -1.136 . . . . 0.0 110.404 173.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -69.61 13.99 0.12 Allowed 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 126.425 1.89 . . . . 0.0 114.601 172.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -123.02 -46.54 2.08 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.514 1.926 . . . . 0.0 109.56 164.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -53.46 -46.16 58.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.65 177.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 32.0 mt -68.5 -27.59 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.55 0.74 . . . . 0.0 111.925 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -84.3 -30.06 25.87 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.912 172.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -70.09 -16.99 63.2 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.539 0.736 . . . . 0.0 112.951 172.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.9 m -67.3 -29.46 69.05 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.746 1.218 . . . . 0.0 112.755 163.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 115.39 23.85 4.32 Favored Glycine 0 CA--C 1.531 1.063 0 C-N-CA 125.898 1.713 . . . . 0.0 115.754 -175.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -115.81 -154.93 0.56 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 119.508 1.654 . . . . 0.0 110.724 173.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -160.51 146.68 15.24 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.137 1.775 . . . . 0.0 109.26 177.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.4 p -157.46 169.58 24.39 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -155.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -161.53 144.57 12.33 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 126.807 2.043 . . . . 0.0 109.225 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 19.6 tt -73.09 107.3 3.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.465 0 CA-C-O 121.413 0.625 . . . . 0.0 110.002 172.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 tp -83.76 -47.13 11.48 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.656 1.583 . . . . 0.0 109.029 -171.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 43.0 mtp85 -141.32 143.19 33.91 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 125.926 1.691 . . . . 0.0 108.441 166.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.0 p30 -69.94 22.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.077 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 159.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 56.4 m . . . . . 0 C--O 1.256 1.431 0 C-N-CA 128.593 2.757 . . . . 0.0 111.797 -168.692 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.5 mtm . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.32 135.83 17.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.269 1.028 . . . . 0.0 111.275 -176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -159.49 141.23 13.18 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.775 0.83 . . . . 0.0 111.675 -173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -71.89 143.92 13.73 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.981 1.312 . . . . 0.0 111.281 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 147.49 40.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.861 2.064 . . . . 0.0 110.558 170.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -93.88 130.73 39.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.633 1.173 . . . . 0.0 110.896 163.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -127.79 154.32 45.55 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.94 1.296 . . . . 0.0 111.546 174.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -138.82 134.82 33.9 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.145 0.978 . . . . 0.0 110.64 173.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -135.83 153.35 51.53 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.962 1.705 . . . . 0.0 112.248 -176.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -109.89 119.58 39.79 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.373 1.469 . . . . 0.0 111.012 169.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 84.9 t -116.87 144.32 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.237 0 C-N-CA 124.574 1.149 . . . . 0.0 110.905 -166.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.9 t -88.9 90.22 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.567 1.147 . . . . 0.0 109.229 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 60.4 mtt -87.3 -40.24 14.66 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.658 1.183 . . . . 0.0 113.185 -168.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.1 m 71.41 -27.38 0.18 Allowed 'General case' 0 N--CA 1.488 1.465 0 C-N-CA 128.351 2.66 . . . . 0.0 114.264 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.5 t -133.95 159.59 40.26 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.786 2.834 . . . . 0.0 110.676 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 m -77.89 -19.93 53.86 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.934 -1.104 . . . . 0.0 113.249 174.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.34 -19.86 77.82 Favored Glycine 0 N--CA 1.473 1.133 0 CA-C-N 119.023 0.829 . . . . 0.0 113.16 -178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 t -47.47 -37.96 12.82 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.582 1.953 . . . . 0.0 113.239 173.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -58.54 -28.47 65.51 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.31 -34.24 26.58 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 119.042 0.837 . . . . 0.0 112.909 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -46.96 21.26 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.806 1.243 . . . . 0.0 112.783 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.4 t -54.97 -46.7 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.66 0.784 . . . . 0.0 109.916 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -53.32 -54.08 41.7 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.274 0.63 . . . . 0.0 111.411 171.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -57.54 -31.82 66.47 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 115.955 1.835 . . . . 0.0 115.955 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -69.13 -41.47 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.307 0 CA-C-N 120.496 1.498 . . . . 0.0 111.6 175.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -84.73 -32.87 23.25 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.4 p -59.76 -20.89 59.44 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.362 1.437 . . . . 0.0 114.053 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -52.64 -21.69 4.24 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.308 1.043 . . . . 0.0 113.247 171.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.3 mt -115.45 37.14 3.66 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.748 2.019 . . . . 0.0 112.871 -167.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -50.54 -33.82 9.67 Favored Pre-proline 0 N--CA 1.477 0.909 0 N-CA-C 116.657 2.095 . . . . 0.0 116.657 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -70.78 -10.27 27.42 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 122.335 2.023 . . . . 0.0 114.062 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -119.66 -32.01 4.4 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.637 1.575 . . . . 0.0 112.769 -176.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.8 t -112.72 129.56 68.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 126.667 1.987 . . . . 0.0 109.604 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.7 p -100.17 -33.72 10.33 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -157.13 143.03 17.74 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -173.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.91 137.0 51.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.824 1.65 . . . . 0.0 108.593 169.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -136.26 131.54 34.6 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.733 1.213 . . . . 0.0 111.529 172.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 54.7 mt -121.47 130.44 74.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.775 1.23 . . . . 0.0 109.827 -171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.4 m -120.46 116.7 25.95 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.081 0.952 . . . . 0.0 111.522 -177.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 65.2 mt -79.84 155.87 27.64 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.955 0.902 . . . . 0.0 111.951 -176.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 78.08 -46.9 0.45 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 129.37 3.068 . . . . 0.0 111.04 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.4 mttp -73.14 -16.19 61.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.715 1.206 . . . . 0.0 112.538 167.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 49.65 35.94 9.69 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 128.171 2.588 . . . . 0.0 115.193 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.0 mt -96.04 152.49 18.48 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 125.029 1.331 . . . . 0.0 112.297 -176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.3 t -131.52 129.77 62.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 125.816 1.647 . . . . 0.0 108.953 169.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -109.69 133.23 53.37 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.532 1.933 . . . . 0.0 109.096 169.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.11 147.1 31.52 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 124.584 1.154 . . . . 0.0 111.633 -170.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -131.15 125.47 33.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.807 1.643 . . . . 0.0 111.985 166.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.4 t -168.49 157.18 8.66 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 125.246 1.418 . . . . 0.0 112.278 -173.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.2 p -77.87 -17.13 57.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.96 1.304 . . . . 0.0 113.275 168.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -67.98 154.76 93.25 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.448 1.099 . . . . 0.0 112.757 -173.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -64.76 157.83 54.0 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 123.974 3.116 . . . . 0.0 114.016 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -55.1 -51.68 65.61 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.754 1.221 . . . . 0.0 112.89 174.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -62.49 -31.27 71.99 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.097 0.959 . . . . 0.0 112.73 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.91 -36.66 83.99 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.5 0.72 . . . . 0.0 110.915 175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -78.4 -36.29 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 117.819 -1.086 . . . . 0.0 112.026 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.6 mt -54.18 -46.43 72.36 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.244 1.384 . . . . 0.0 110.764 169.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -59.85 -51.93 67.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 118.016 -0.993 . . . . 0.0 112.709 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.2 -22.96 61.95 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.189 1.359 . . . . 0.0 114.155 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -64.04 -57.53 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 119.577 1.08 . . . . 0.0 109.201 161.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -63.91 -29.17 70.37 Favored 'General case' 0 CA--C 1.546 0.815 0 O-C-N 121.046 -1.034 . . . . 0.0 113.721 -174.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.3 mmmm -57.07 -25.15 58.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 173.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.2 p -60.08 -20.07 56.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 125.064 1.346 . . . . 0.0 113.866 173.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.6 -9.76 72.42 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.931 1.729 . . . . 0.0 113.322 -168.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -77.11 145.39 37.84 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 118.64 1.22 . . . . 0.0 111.305 175.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 165.18 19.77 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.79 1.236 . . . . 0.0 110.63 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.22 130.14 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.811 1.244 . . . . 0.0 111.127 -173.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -95.17 -41.83 8.88 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.3 p -160.81 165.2 30.67 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.776 0.83 . . . . 0.0 111.558 -172.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 159.1 163.23 12.81 Favored Glycine 0 C--N 1.337 0.618 0 N-CA-C 115.325 0.89 . . . . 0.0 115.325 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -159.71 164.07 34.23 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.563 1.145 . . . . 0.0 113.839 -171.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -71.05 147.97 48.01 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.413 1.085 . . . . 0.0 109.879 157.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 C--O 1.251 1.153 0 C-N-CA 124.791 1.237 . . . . 0.0 112.422 179.084 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 121.146 0.498 . . . . 0.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -80.94 80.98 7.32 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.44 2.296 . . . . 0.0 112.368 -166.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -71.17 128.89 37.43 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.604 1.162 . . . . 0.0 109.413 163.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 83.0 t -142.98 142.8 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 126.168 1.787 . . . . 0.0 108.963 -174.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.19 121.69 60.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 73.4 mt -98.78 150.26 22.03 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.421 0.688 . . . . 0.0 109.371 173.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.62 138.73 33.22 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 157.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -142.8 118.6 5.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.678 1.991 . . . . 0.0 105.649 175.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -85.74 -57.2 3.14 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 -159.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.42 52.37 4.65 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 124.693 1.14 . . . . 0.0 114.479 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 24.9 ptm -111.02 12.89 22.04 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -172.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.5 p -89.08 2.16 54.51 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 -166.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 20.5 p -83.34 -113.73 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 124.546 1.138 . . . . 0.0 112.261 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 52.6 p -146.69 -95.24 0.09 Allowed 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.14 70.35 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.943 1.297 . . . . 0.0 113.71 -170.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 36.7 m -53.01 -28.17 22.82 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.681 1.592 . . . . 0.0 113.166 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 73.1 p -69.56 -41.5 75.81 Favored 'General case' 0 C--N 1.342 0.243 0 O-C-N 121.224 -0.923 . . . . 0.0 112.196 173.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 117.455 -1.259 . . . . 0.0 110.178 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.9 m -57.58 -30.6 65.42 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.059 1.3 . . . . 0.0 111.761 173.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.07 -54.31 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 CA-C-N 119.527 1.058 . . . . 0.0 110.071 169.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -53.63 -50.92 64.66 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 118.876 0.762 . . . . 0.0 111.869 175.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -44.58 -48.92 10.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.792 1.637 . . . . 0.0 113.051 171.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -84.15 -29.03 27.01 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -91.06 -44.33 9.37 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 119.63 1.104 . . . . 0.0 113.631 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -64.14 -19.94 65.64 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 120.442 1.474 . . . . 0.0 112.842 -177.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.21 -10.66 60.0 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.744 1.618 . . . . 0.0 114.901 173.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 77.8 mt -78.72 121.55 24.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.391 1.077 . . . . 0.0 111.191 -175.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -58.46 111.22 1.16 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.383 0.673 . . . . 0.0 110.946 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.86 -27.25 6.87 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 126.687 2.089 . . . . 0.0 113.945 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.1 t -80.35 139.25 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.402 1.601 . . . . 0.0 109.417 173.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 44.6 p -110.63 -37.26 5.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 118.186 -0.911 . . . . 0.0 113.085 175.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -147.23 157.28 43.54 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.79 1.236 . . . . 0.0 112.97 -167.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.8 m -158.05 127.51 5.85 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.21 1.804 . . . . 0.0 112.94 -170.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.23 174.81 13.8 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.181 1.793 . . . . 0.0 111.114 168.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.38 166.88 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 O-C-N 120.499 -1.375 . . . . 0.0 113.737 -167.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.1 m -138.89 103.01 4.7 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.035 1.334 . . . . 0.0 112.072 177.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.0 mp -68.05 -26.74 66.01 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -175.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.8 t -84.0 -36.16 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.491 1.117 . . . . 0.0 111.398 -176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 67.8 p -100.73 -3.95 29.13 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.574 -176.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.451 0.0 OUTLIER 69.76 28.23 4.43 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.804 2.842 . . . . 0.0 114.756 177.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 81.5 mt-10 -106.39 154.77 20.32 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.561 1.544 . . . . 0.0 113.812 -171.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 89.2 m -129.47 128.16 42.34 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.432 1.493 . . . . 0.0 111.042 166.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -97.18 93.74 6.72 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 126.833 2.053 . . . . 0.0 107.935 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.2 m -106.02 150.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 125.639 1.576 . . . . 0.0 111.554 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 88.7 m -141.97 125.04 16.26 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.951 0.901 . . . . 0.0 109.577 -173.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -150.23 -157.98 0.87 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.334 1.054 . . . . 0.0 111.778 -172.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -151.16 169.43 21.9 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 129.59 3.156 . . . . 0.0 111.074 -176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.52 -23.5 10.64 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.377 2.271 . . . . 0.0 116.51 -162.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -70.5 -12.6 61.68 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.602 1.561 . . . . 0.0 115.153 173.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 77.6 t -122.79 154.77 28.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.264 2.226 . . . . 0.0 108.956 176.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 1.3 t -152.04 146.42 25.54 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.032 1.333 . . . . 0.0 111.484 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.7 -26.94 58.05 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.896 1.278 . . . . 0.0 113.184 175.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -64.59 -32.83 74.65 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.151 0.98 . . . . 0.0 112.972 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 73.8 m -87.73 -34.62 18.3 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.011 0.524 . . . . 0.0 111.695 173.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -58.55 -38.85 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.084 -1.01 . . . . 0.0 110.145 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -56.13 -14.88 3.0 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 126.374 1.869 . . . . 0.0 115.109 171.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -100.62 -40.23 7.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.575 1.55 . . . . 0.0 109.755 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.51 -51.4 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.279 1.432 . . . . 0.0 111.682 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 7.0 tt -78.08 -27.14 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.646 0.779 . . . . 0.0 112.005 -174.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -68.39 -36.32 78.99 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 118.754 -0.641 . . . . 0.0 111.482 167.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.29 -2.87 54.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 171.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 99.8 m -80.1 -13.65 59.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.796 0.839 . . . . 0.0 112.936 159.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.78 12.28 30.57 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.446 1.498 . . . . 0.0 115.782 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -100.16 -162.38 0.94 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.089 1.445 . . . . 0.0 110.657 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -162.05 142.14 10.1 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.257 2.623 . . . . 0.0 105.23 -176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.0 p -168.03 176.66 6.0 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -146.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.71 157.88 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 126.389 1.876 . . . . 0.0 110.442 -179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.7 tt -78.86 113.65 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 166.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -60.64 2.23 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -158.55 138.55 12.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.981 1.312 . . . . 0.0 111.517 173.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -69.02 78.26 0.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.092 1.357 . . . . 0.0 109.415 147.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.566 1.946 . . . . 0.0 113.474 -179.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ttt . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -169.63 143.09 2.65 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.291 1.436 . . . . 0.0 110.229 -178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -84.03 149.92 25.95 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.182 0.515 . . . . 0.0 110.969 175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.81 131.04 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 122.125 0.965 . . . . 0.0 109.439 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -115.74 153.71 30.89 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.184 2.193 . . . . 0.0 110.346 -175.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -124.82 140.73 52.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.458 1.103 . . . . 0.0 111.503 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -145.74 144.76 30.54 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 125.152 1.381 . . . . 0.0 110.718 -174.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -131.49 127.64 37.72 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.676 1.19 . . . . 0.0 110.048 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -121.7 144.77 48.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.703 2.001 . . . . 0.0 110.127 -178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -105.84 126.21 51.9 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.411 1.085 . . . . 0.0 109.491 169.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 28.0 t -148.42 137.19 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.336 1.454 . . . . 0.0 109.165 -163.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.7 t -73.76 127.08 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 174.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.9 mtm -138.7 124.42 19.72 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.602 0.761 . . . . 0.0 111.373 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.7 p -97.47 -158.28 0.65 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.723 1.609 . . . . 0.0 109.977 174.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -84.04 -141.65 0.07 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 124.938 1.295 . . . . 0.0 114.089 -173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.3 m -57.8 -38.49 75.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.331 1.852 . . . . 0.0 115.671 -156.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 -38.76 25.76 Favored Glycine 0 N--CA 1.473 1.138 0 CA-C-N 120.083 1.31 . . . . 0.0 111.991 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 37.9 t -56.92 -49.28 76.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.672 0.789 . . . . 0.0 110.623 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.6 m -57.73 -40.59 79.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.559 1.144 . . . . 0.0 113.322 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.72 -27.66 64.59 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.217 0.913 . . . . 0.0 113.565 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.58 -52.58 10.27 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.478 1.139 . . . . 0.0 111.773 174.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.95 -35.11 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.003 1.321 . . . . 0.0 110.858 175.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.67 -62.55 1.45 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 122.958 0.503 . . . . 0.0 111.906 168.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -56.75 -40.9 76.61 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 -169.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.2 t -69.79 -28.17 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.32 0.964 . . . . 0.0 111.314 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.15 -27.18 14.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 -174.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.4 p -58.62 -28.29 65.51 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 121.394 1.907 . . . . 0.0 113.911 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -57.67 -20.57 34.66 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.862 1.265 . . . . 0.0 113.316 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -93.93 -3.14 52.18 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.163 1.385 . . . . 0.0 114.432 -175.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -54.22 -28.38 3.7 Favored Pre-proline 0 N--CA 1.473 0.697 0 N-CA-C 116.034 1.865 . . . . 0.0 116.034 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -58.37 -24.58 69.06 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 CA-C-N 122.189 1.818 . . . . 0.0 113.551 172.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -114.89 -25.4 8.21 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.129 1.372 . . . . 0.0 113.313 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.55 115.04 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.994 1.717 . . . . 0.0 109.812 176.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -40.32 43.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.261 0.624 . . . . 0.0 112.297 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -152.11 119.81 6.11 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.835 0.854 . . . . 0.0 113.114 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 41.7 mt -90.51 132.58 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.82 1.248 . . . . 0.0 108.712 157.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -128.33 114.0 16.32 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.363 1.065 . . . . 0.0 110.52 169.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.7 mt -98.57 124.96 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 125.268 1.427 . . . . 0.0 109.86 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -115.85 83.5 1.95 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.059 1.344 . . . . 0.0 110.47 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -55.19 -48.2 74.16 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 126.183 1.793 . . . . 0.0 112.722 -173.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -62.32 -48.57 79.25 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.421 1.089 . . . . 0.0 110.493 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -66.8 -18.25 65.28 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.793 0.837 . . . . 0.0 113.199 177.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 72.25 21.19 3.93 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.606 2.362 . . . . 0.0 111.808 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.92 149.45 27.47 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 122.363 1.078 . . . . 0.0 113.029 -171.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -129.39 129.64 67.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 113.386 -1.734 . . . . 0.0 108.204 169.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -125.9 127.28 45.76 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.977 1.311 . . . . 0.0 110.343 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.0 t -129.17 136.44 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.554 0.742 . . . . 0.0 111.33 -170.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -113.4 124.35 52.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.381 1.873 . . . . 0.0 111.282 167.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.1 t -168.12 165.28 13.38 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.462 1.105 . . . . 0.0 112.386 -173.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 46.3 p -79.48 -19.87 48.72 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.932 1.693 . . . . 0.0 112.794 167.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.46 156.21 90.51 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.472 1.909 . . . . 0.0 112.482 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.35 158.62 14.88 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.553 2.836 . . . . 0.0 112.963 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -48.19 -49.88 31.15 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.559 1.943 . . . . 0.0 113.515 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -64.11 -35.23 80.09 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.687 1.195 . . . . 0.0 112.611 -173.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -69.36 -41.9 75.94 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.741 -0.599 . . . . 0.0 111.877 177.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 40.6 mm -69.87 -45.78 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.906 0.882 . . . . 0.0 111.138 -177.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 pp -63.35 -32.93 74.48 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 118.474 -0.774 . . . . 0.0 112.401 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.46 -43.56 98.52 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 119.203 0.91 . . . . 0.0 112.535 173.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -67.89 -30.55 69.94 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.732 1.151 . . . . 0.0 113.049 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.11 -55.04 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 CA-C-N 118.693 0.678 . . . . 0.0 110.168 170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -57.08 -35.21 69.11 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.197 1.399 . . . . 0.0 112.703 -177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.4 tptt -54.08 -21.43 8.47 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.206 1.802 . . . . 0.0 114.753 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.0 p -65.04 -29.19 70.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.152 1.381 . . . . 0.0 114.538 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.74 1.41 56.34 Favored Glycine 0 N--CA 1.474 1.23 0 N-CA-C 115.695 1.038 . . . . 0.0 115.695 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -93.29 161.08 14.54 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 118.996 1.398 . . . . 0.0 112.028 170.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.16 139.42 35.59 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.615 1.566 . . . . 0.0 112.121 -168.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -112.34 128.81 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.675 1.59 . . . . 0.0 108.63 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.1 mtp-105 -105.09 -38.92 6.4 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.95 1.092 . . . . 0.0 113.95 -171.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.8 m -158.39 173.19 17.03 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 119.497 1.044 . . . . 0.0 112.404 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 167.12 162.93 20.01 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 115.832 1.093 . . . . 0.0 115.832 164.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -173.52 -173.34 0.87 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 126.597 1.959 . . . . 0.0 112.864 176.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.88 166.09 16.27 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.584 1.954 . . . . 0.0 113.083 176.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.8 mt . . . . . 0 C--O 1.252 1.202 0 C-N-CA 126.063 1.745 . . . . 0.0 111.693 175.028 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 121.023 0.44 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptm180 -154.43 136.68 14.85 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 127.494 2.318 . . . . 0.0 107.812 173.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -96.18 161.79 13.81 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 127.071 2.148 . . . . 0.0 113.604 -173.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 p -148.91 138.14 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.405 1.882 . . . . 0.0 109.221 168.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 18.7 mm -122.0 125.39 73.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -132.67 140.42 48.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.6 0.76 . . . . 0.0 110.901 -175.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.55 118.25 30.44 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.58 105.65 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 124.84 1.256 . . . . 0.0 108.678 -169.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -70.5 -15.38 62.79 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 -161.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.09 2.68 61.63 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 125.499 1.523 . . . . 0.0 115.343 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 22.6 mtm -71.82 150.85 43.93 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.745 1.773 . . . . 0.0 113.058 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.0 p -139.48 -54.82 0.57 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.338 1.455 . . . . 0.0 113.607 -167.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 25.3 p -155.77 -100.98 0.04 OUTLIER 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -154.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 56.9 p -158.41 141.6 14.93 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 128.472 2.709 . . . . 0.0 110.273 -172.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 72.37 -52.22 0.7 Allowed 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 127.95 2.5 . . . . 0.0 112.08 -173.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 71.8 m -50.31 -22.09 1.66 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 127.669 2.387 . . . . 0.0 113.804 167.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 23.3 p -100.65 -41.73 6.81 Favored 'General case' 0 C--O 1.225 -0.212 0 C-N-CA 128.048 2.539 . . . . 0.0 112.912 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -1.65 21.72 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 120.054 1.297 . . . . 0.0 113.126 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -48.17 -46.46 34.77 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.024 1.33 . . . . 0.0 110.9 153.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.12 -48.35 86.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 123.851 0.861 . . . . 0.0 110.187 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -55.15 -51.03 67.79 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.091 0.859 . . . . 0.0 111.663 170.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 51.9 m -52.7 -39.06 61.62 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.399 1.08 . . . . 0.0 112.79 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -85.84 -50.14 7.36 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.0 mt -69.3 -44.0 72.68 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 119.503 1.047 . . . . 0.0 112.374 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.38 -26.76 68.05 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.678 1.126 . . . . 0.0 112.187 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.96 -10.95 59.96 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 82.8 mt -72.72 127.31 32.18 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.356 0.98 . . . . 0.0 110.393 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.65 108.33 0.38 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 111.074 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 113.2 -17.9 21.5 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.539 1.542 . . . . 0.0 115.06 -174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.4 t -91.76 134.48 29.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 119.631 1.716 . . . . 0.0 109.255 176.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -121.48 -31.23 4.08 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -165.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -147.33 143.74 28.26 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.229 1.411 . . . . 0.0 111.456 175.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 60.0 m -142.95 119.93 11.34 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.696 1.199 . . . . 0.0 111.768 178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -123.44 168.43 12.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.692 1.997 . . . . 0.0 111.155 175.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -151.6 139.9 14.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 126.346 1.859 . . . . 0.0 113.203 -167.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 m -142.53 166.67 24.02 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.506 1.522 . . . . 0.0 112.232 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.32 29.84 7.65 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.061 1.344 . . . . 0.0 112.81 -170.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.7 t -93.71 -54.96 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 120.982 -1.074 . . . . 0.0 109.568 -176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.03 -7.64 39.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.004 1.721 . . . . 0.0 110.996 161.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 70.34 50.72 0.4 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.532 2.333 . . . . 0.0 109.332 -163.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.44 139.63 30.53 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.685 1.594 . . . . 0.0 113.355 -170.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 86.5 m -106.34 134.43 49.48 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.469 1.508 . . . . 0.0 109.913 166.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -115.72 95.56 5.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.766 1.626 . . . . 0.0 108.001 -174.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.61 142.2 26.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.214 1.405 . . . . 0.0 111.113 -171.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 68.2 m -126.83 131.74 51.15 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.692 1.997 . . . . 0.0 108.444 -176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -150.15 -164.27 1.98 Allowed 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 122.332 1.063 . . . . 0.0 110.955 -172.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -171.25 167.89 6.84 Favored 'General case' 0 CA--C 1.546 0.791 1 C-N-CA 132.968 4.507 . . . . 0.0 108.784 -177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 84.53 158.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 128.906 2.882 . . . . 0.0 113.213 173.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -44.16 -26.71 0.33 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 129.356 3.062 . . . . 0.0 117.491 -174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 14.9 p -48.16 145.33 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 127.253 2.221 . . . . 0.0 112.947 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -112.46 146.86 37.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.06 1.744 . . . . 0.0 112.591 -173.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -24.78 58.12 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.114 0.965 . . . . 0.0 112.574 170.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -66.61 -20.88 66.1 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.127 1.371 . . . . 0.0 112.899 175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.2 m -83.93 -38.08 21.5 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 120.959 -1.088 . . . . 0.0 111.475 168.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.48 -39.01 73.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 121.274 -0.891 . . . . 0.0 109.997 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -56.33 -4.01 0.12 Allowed 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 128.956 2.902 . . . . 0.0 115.644 172.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -126.08 -39.18 2.1 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.613 1.965 . . . . 0.0 110.154 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 76.9 mt -56.75 -39.42 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 O-C-N 121.117 -0.99 . . . . 0.0 111.234 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 tp -61.52 -25.86 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.137 -0.977 . . . . 0.0 112.238 174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -85.61 -26.8 25.87 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 172.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -73.74 -21.57 60.16 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.782 0.719 . . . . 0.0 112.911 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 58.9 m -74.67 -13.93 60.69 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.651 0.78 . . . . 0.0 112.685 164.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.55 25.59 15.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.573 1.082 . . . . 0.0 115.149 178.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -123.56 -155.04 0.64 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.201 1.401 . . . . 0.0 109.872 176.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -168.53 158.95 9.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.98 2.112 . . . . 0.0 110.78 176.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 11.0 p -150.36 -173.27 4.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.754 1.222 . . . . 0.0 112.409 -176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -133.54 25.66 4.08 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.752 0.821 . . . . 0.0 110.107 162.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . 0.517 HG22 ' H ' ' B' ' 69' ' ' LEU 0.34 41.8 mm 49.98 -155.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.884 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -147.069 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.517 ' H ' HG22 ' B' ' 68' ' ' ILE 0.274 0.1 OUTLIER -154.83 -43.25 0.09 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.123 1.369 . . . . 0.0 111.146 163.634 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt85 -167.41 146.03 4.89 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 122.726 1.25 . . . . 0.0 111.537 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -83.08 28.46 0.51 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.519 2.327 . . . . 0.0 113.128 -171.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.489 1.477 0 C-N-CA 130.26 3.424 . . . . 0.0 111.651 -173.147 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -170.31 -12.75 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.213 1.805 . . . . 0.0 113.9 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -81.63 112.82 19.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.304 0.956 . . . . 0.0 109.822 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 72.9 mt 57.02 123.56 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 128.871 2.869 . . . . 0.0 112.838 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -96.43 149.94 21.16 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.698 -1.251 . . . . 0.0 110.884 172.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.71 138.16 44.44 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.844 1.258 . . . . 0.0 109.261 173.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -138.17 153.57 49.19 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 125.081 1.353 . . . . 0.0 110.706 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -143.79 133.87 24.23 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.972 174.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -126.65 142.02 51.67 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.121 1.368 . . . . 0.0 111.048 -176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -89.06 121.18 31.15 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.509 1.524 . . . . 0.0 108.718 167.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -137.71 135.82 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.204 1.002 . . . . 0.0 109.708 -165.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 77.2 t -69.14 119.77 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.271 0.628 . . . . 0.0 110.374 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -145.34 107.1 4.26 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.86 0.864 . . . . 0.0 111.55 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.4 m -63.1 -56.81 13.69 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.641 0.776 . . . . 0.0 111.05 174.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.3 p -129.75 175.2 9.02 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.543 1.537 . . . . 0.0 113.591 -162.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.0 m -72.89 -5.79 40.77 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.364 -0.835 . . . . 0.0 112.449 171.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.34 -28.64 43.47 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.889 1.709 . . . . 0.0 112.771 166.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.8 m -66.39 -55.42 15.89 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.464 1.632 . . . . 0.0 110.362 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 54.7 p -61.22 -34.71 75.55 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 175.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.21 -41.26 94.9 Favored Glycine 0 CA--C 1.529 0.924 0 CA-C-O 119.209 -0.773 . . . . 0.0 112.959 175.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.9 -49.38 70.7 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.576 1.15 . . . . 0.0 111.777 172.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 45.9 t -52.9 -49.65 47.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.895 0.878 . . . . 0.0 110.504 174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -58.17 -43.81 87.64 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 121.744 -0.597 . . . . 0.0 112.326 176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.1 tttp -66.01 -30.14 70.63 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.728 1.149 . . . . 0.0 113.725 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -67.62 -43.35 86.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.181 0 O-C-N 121.277 -0.889 . . . . 0.0 111.388 167.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.1 mt -85.08 -21.96 29.14 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -169.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.9 p -59.39 -24.64 63.6 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.954 1.706 . . . . 0.0 112.774 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.4 mttp -60.61 -15.08 24.53 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.499 1.12 . . . . 0.0 113.483 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.9 mt -109.98 5.64 22.46 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.968 1.707 . . . . 0.0 114.555 -173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -51.09 -28.85 2.45 Favored Pre-proline 0 N--CA 1.477 0.889 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -62.06 -16.9 53.17 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 CA-C-N 121.849 1.696 . . . . 0.0 114.975 174.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -126.42 -31.62 2.75 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 125.165 1.386 . . . . 0.0 113.098 178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.1 t -86.84 125.45 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.69 1.596 . . . . 0.0 109.25 171.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 35.1 p -91.82 -39.41 11.78 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 -175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -154.48 120.43 5.25 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.622 0.769 . . . . 0.0 112.653 -172.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.2 mt -108.3 136.93 42.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 125.013 1.325 . . . . 0.0 108.861 171.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -144.51 122.55 12.1 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.647 -0.658 . . . . 0.0 111.822 175.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -98.96 142.25 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 CA-C-O 121.551 0.691 . . . . 0.0 111.066 -174.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.2 m -121.06 85.98 2.5 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.256 1.823 . . . . 0.0 108.495 170.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.64 -34.88 76.49 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.166 0.987 . . . . 0.0 113.656 -168.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -64.82 -49.5 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.038 0.835 . . . . 0.0 110.795 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -80.27 7.54 9.29 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.363 1.065 . . . . 0.0 113.785 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 56.06 37.04 28.42 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.735 1.614 . . . . 0.0 114.739 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.275 3.8 pp -130.93 158.53 39.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -175.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -133.88 129.87 55.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.79 1.636 . . . . 0.0 109.653 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.29 131.95 51.07 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.054 1.742 . . . . 0.0 111.184 176.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.1 t -130.2 141.41 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 124.956 1.303 . . . . 0.0 110.611 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -121.59 129.74 53.04 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.689 1.596 . . . . 0.0 109.693 163.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.1 t -169.34 161.14 9.85 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.091 0.956 . . . . 0.0 113.202 -172.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 40.6 p -72.75 -27.26 61.92 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.406 2.282 . . . . 0.0 112.987 164.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.9 mt -69.14 150.58 97.38 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.448 1.499 . . . . 0.0 113.062 -169.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -77.71 153.71 30.1 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 123.31 2.673 . . . . 0.0 112.74 -175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -50.94 -46.48 60.98 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.95 1.7 . . . . 0.0 113.048 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -59.37 -44.83 92.68 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.44 1.496 . . . . 0.0 112.499 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -69.43 -31.42 69.73 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.865 0.466 . . . . 0.0 111.972 -179.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.0 mm -72.92 -43.31 59.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-O 118.084 -0.96 . . . . 0.0 111.568 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 55.6 mt -52.14 -49.1 64.39 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 119.323 0.965 . . . . 0.0 110.825 171.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -60.8 -53.05 62.09 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.552 1.141 . . . . 0.0 112.913 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -62.67 -30.98 71.79 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 120.267 1.394 . . . . 0.0 113.344 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.51 -56.23 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 CA-C-N 119.429 1.013 . . . . 0.0 109.7 169.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -60.94 -32.37 71.89 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -174.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -53.16 -24.16 9.98 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 172.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.6 p -63.87 -23.01 67.18 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.011 1.115 . . . . 0.0 114.011 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.9 1.15 87.15 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.906 1.241 . . . . 0.0 113.928 -171.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -87.36 143.83 27.06 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 118.269 1.035 . . . . 0.0 109.86 162.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -84.8 142.87 29.47 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.831 0.853 . . . . 0.0 112.018 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.2 p -103.14 126.62 57.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 124.679 1.192 . . . . 0.0 109.571 171.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 33.4 mtp-105 -93.26 -42.91 9.08 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.503 1.121 . . . . 0.0 112.633 -171.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.3 p -165.41 167.9 17.22 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.82 1.248 . . . . 0.0 111.824 -177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 178.79 159.94 23.96 Favored Glycine 0 C--N 1.343 0.917 0 N-CA-C 115.958 1.143 . . . . 0.0 115.958 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -135.27 160.21 39.12 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.848 1.259 . . . . 0.0 113.71 -173.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -93.21 127.46 38.79 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.375 1.47 . . . . 0.0 109.476 163.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.7 mt . . . . . 0 C--O 1.249 1.078 0 C-N-CA 125.194 1.398 . . . . 0.0 112.304 -168.359 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -173.31 159.99 3.89 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 127.301 2.24 . . . . 0.0 106.889 -176.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -134.61 153.33 52.02 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 127.099 2.16 . . . . 0.0 110.566 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 p -169.74 130.42 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 125.498 1.519 . . . . 0.0 110.917 178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.437 HG22 HD23 ' B' ' 69' ' ' LEU . 17.4 mt -107.76 124.08 63.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 163.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -116.91 142.25 47.19 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 123.588 0.755 . . . . 0.0 110.335 174.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 142.98 40.07 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 97.5 t -138.44 98.48 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -76.58 -6.39 51.73 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 -155.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -110.71 4.03 29.16 Favored Glycine 0 N--CA 1.469 0.838 0 CA-C-O 118.197 -1.335 . . . . 0.0 115.632 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.6 ptp -80.94 136.95 36.11 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 120.197 1.998 . . . . 0.0 112.573 -178.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 54.5 m -140.54 -39.25 0.43 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.832 1.653 . . . . 0.0 111.674 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 11.5 p -114.07 164.13 14.24 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 115.849 1.796 . . . . 0.0 115.849 -163.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 28.4 m -78.77 2.29 20.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.295 1.438 . . . . 0.0 114.131 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -97.04 -59.62 1.76 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.165 0.893 . . . . 0.0 110.791 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.97 -18.28 62.63 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -170.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -67.91 -51.99 41.56 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 124.771 1.229 . . . . 0.0 111.616 173.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -19.68 64.67 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 119.846 1.203 . . . . 0.0 112.089 177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 10.5 m -56.78 -35.22 68.44 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.235 0.925 . . . . 0.0 110.785 166.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.15 -53.61 38.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 119.399 1.0 . . . . 0.0 109.571 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -55.6 -46.81 77.26 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.173 0.897 . . . . 0.0 112.987 175.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 41.8 m -59.63 -41.77 91.22 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.557 1.072 . . . . 0.0 112.913 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -74.55 -31.13 62.01 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.973 1.26 . . . . 0.0 112.964 177.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.73 -45.02 69.11 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.666 1.186 . . . . 0.0 111.738 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -49.42 -26.42 3.27 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 172.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.09 -24.86 55.05 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 74.7 mt -71.77 7.48 1.51 Allowed 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 116.897 2.184 . . . . 0.0 116.897 -167.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt 43.46 25.45 0.08 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 128.369 2.667 . . . . 0.0 116.61 -175.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.19 -21.66 0.17 Allowed Glycine 0 N--CA 1.472 1.059 0 C-N-CA 125.165 1.364 . . . . 0.0 116.138 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -77.64 136.03 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 119.784 1.792 . . . . 0.0 109.254 172.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 42.3 p -110.46 -30.26 7.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.212 1.405 . . . . 0.0 112.398 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -157.34 147.37 20.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.283 1.833 . . . . 0.0 109.84 171.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.8 p -151.86 148.94 28.42 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 175.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -144.7 172.24 13.27 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.084 1.754 . . . . 0.0 111.188 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -143.25 144.4 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 127.326 2.25 . . . . 0.0 109.113 -172.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 42.6 m -129.48 115.7 17.87 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.02 0.528 . . . . 0.0 110.573 162.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.14 -32.94 67.38 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.265 1.426 . . . . 0.0 114.432 -173.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 87.2 t -72.99 -37.0 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 CA-C-N 119.087 0.858 . . . . 0.0 111.037 -176.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 41.2 p -87.14 -19.86 27.88 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.565 1.546 . . . . 0.0 112.715 173.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 76.73 37.22 0.31 Allowed 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 127.851 2.46 . . . . 0.0 112.23 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -118.6 152.22 36.44 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.708 1.603 . . . . 0.0 113.605 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 80.4 m -113.52 133.71 55.08 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.492 1.517 . . . . 0.0 110.026 166.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -114.45 94.24 4.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.142 1.777 . . . . 0.0 108.348 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 40.6 t -117.0 132.67 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.752 1.621 . . . . 0.0 111.547 -165.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 83.4 m -128.61 115.79 18.62 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 125.81 1.644 . . . . 0.0 108.136 -169.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -135.06 -157.01 0.77 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.084 1.354 . . . . 0.0 112.309 -161.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -165.58 163.39 19.35 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.294 2.238 . . . . 0.0 112.193 -160.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.04 -6.42 2.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 127.413 2.285 . . . . 0.0 116.269 -165.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -80.31 -4.72 54.5 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.464 1.105 . . . . 0.0 113.091 168.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.7 p -149.05 163.29 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 120.496 1.498 . . . . 0.0 112.129 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 51.6 p -127.98 152.87 47.38 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.768 1.627 . . . . 0.0 112.238 175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.29 69.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.73 0.812 . . . . 0.0 112.767 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -67.58 -35.09 78.33 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.72 0.808 . . . . 0.0 111.46 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 63.0 m -69.75 -39.52 76.7 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.835 0.854 . . . . 0.0 111.786 171.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.81 -44.78 94.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 O-C-N 121.554 -0.716 . . . . 0.0 109.792 174.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 30.9 tttm -63.87 11.81 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 127.257 2.223 . . . . 0.0 115.147 174.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -134.75 -42.53 0.75 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.275 1.83 . . . . 0.0 109.188 178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.9 mm -53.32 -46.72 57.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.844 1.258 . . . . 0.0 112.251 165.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.81 -25.7 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.037 0.935 . . . . 0.0 112.194 178.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -74.25 -36.55 63.87 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 174.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -78.19 -0.8 29.85 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 170.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 95.8 m -85.0 -12.66 52.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.873 0.869 . . . . 0.0 113.219 166.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 102.95 22.46 9.33 Favored Glycine 0 N--CA 1.473 1.123 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -120.42 -160.24 0.82 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.076 1.35 . . . . 0.0 111.18 178.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -154.67 154.64 33.26 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 129.154 2.982 . . . . 0.0 107.911 173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 p -156.45 170.13 23.03 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -156.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -155.4 144.02 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.183 1.393 . . . . 0.0 109.312 172.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 tt -77.41 103.58 4.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.437 HD23 HG22 ' B' ' 5' ' ' ILE . 0.4 OUTLIER -85.3 -53.53 5.17 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.341 1.857 . . . . 0.0 110.078 -158.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -151.74 136.25 16.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.483 1.913 . . . . 0.0 108.138 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -76.06 15.0 0.6 Allowed 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.485 1.317 0 C-N-CA 127.671 2.389 . . . . 0.0 114.051 -171.359 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 133.39 54.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.403 1.081 . . . . 0.0 113.354 -172.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -91.25 137.58 32.25 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.668 1.587 . . . . 0.0 110.257 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.3 mt -69.8 129.24 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.675 0.75 . . . . 0.0 110.542 170.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -106.54 153.46 22.29 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.271 2.228 . . . . 0.0 111.184 177.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -105.96 134.79 48.51 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.397 1.079 . . . . 0.0 111.548 171.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -128.32 146.87 50.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.968 1.307 . . . . 0.0 110.859 173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -136.41 131.1 33.7 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.821 0.849 . . . . 0.0 111.183 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -127.84 142.01 51.41 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.405 1.482 . . . . 0.0 110.94 -174.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -105.67 122.69 46.58 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.675 1.59 . . . . 0.0 108.196 168.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 20.2 t -138.71 144.08 30.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 119.388 0.994 . . . . 0.0 111.044 -159.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.5 t -66.46 120.76 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.0 0.92 . . . . 0.0 109.988 171.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.9 mtm -147.84 97.45 2.81 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.418 1.087 . . . . 0.0 111.359 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.4 m -64.7 -41.67 95.85 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.189 1.796 . . . . 0.0 113.809 -169.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.6 p -157.91 178.03 10.68 Favored 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 125.205 1.402 . . . . 0.0 113.621 -172.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -66.41 -12.31 56.38 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.103 0.961 . . . . 0.0 113.519 175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -91.26 -30.64 10.62 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.772 1.653 . . . . 0.0 112.797 170.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.6 t -64.36 -52.07 60.16 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.288 1.035 . . . . 0.0 110.751 170.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -60.09 -39.65 86.87 Favored 'General case' 0 CA--C 1.536 0.404 0 O-C-N 121.727 -0.608 . . . . 0.0 112.045 171.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.64 -38.03 95.75 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.033 0.833 . . . . 0.0 113.521 177.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.87 -46.08 69.37 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.069 0.934 . . . . 0.0 112.025 173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 63.3 t -58.84 -44.65 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 O-C-N 121.678 -0.639 . . . . 0.0 110.498 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -58.51 -37.19 75.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.582 1.153 . . . . 0.0 112.586 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -62.99 -30.01 71.27 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.005 -1.06 . . . . 0.0 112.964 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 t -71.29 -56.72 9.53 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 119.194 0.906 . . . . 0.0 110.98 169.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.93 -29.56 69.46 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.842 1.052 . . . . 0.0 113.842 -169.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.5 p -62.91 -18.62 63.28 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.606 1.162 . . . . 0.0 113.874 174.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -68.15 -10.52 54.78 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.868 -1.145 . . . . 0.0 113.415 172.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 90.3 mt -105.96 6.62 31.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.339 1.456 . . . . 0.0 113.68 -178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -54.44 -21.93 0.65 Allowed Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 117.304 2.335 . . . . 0.0 117.304 178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -62.74 -21.17 72.77 Favored 'Trans proline' 0 C--N 1.353 0.796 0 CA-C-N 122.768 2.024 . . . . 0.0 113.582 172.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -122.68 -29.71 3.98 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.411 1.484 . . . . 0.0 113.055 179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.8 t -83.96 120.31 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 125.791 1.637 . . . . 0.0 109.626 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.4 p -83.04 -41.93 18.08 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -151.15 131.22 13.45 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mt -113.76 138.4 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 127.345 2.258 . . . . 0.0 110.003 176.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -142.83 110.47 5.82 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.099 0.959 . . . . 0.0 112.098 173.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 81.2 mt -105.74 129.01 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.386 1.474 . . . . 0.0 110.509 -177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.4 m -120.44 100.01 6.9 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.221 1.408 . . . . 0.0 112.308 -173.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 tp -75.57 148.87 38.52 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.96 1.304 . . . . 0.0 110.791 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 75.27 -41.86 0.46 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.954 2.502 . . . . 0.0 110.876 -174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -68.76 -30.02 68.53 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.863 1.665 . . . . 0.0 112.763 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 79.89 8.96 1.5 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.363 2.665 . . . . 0.0 113.572 175.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -99.72 154.65 18.14 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.116 -0.99 . . . . 0.0 113.427 -169.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.1 t -137.39 132.27 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 126.395 1.878 . . . . 0.0 108.884 171.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.76 129.13 54.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.799 1.64 . . . . 0.0 110.421 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 51.0 t -130.51 143.63 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.633 1.173 . . . . 0.0 111.266 -173.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -127.02 129.64 48.47 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.448 1.499 . . . . 0.0 111.578 166.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.1 t -170.12 163.76 9.18 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.508 1.123 . . . . 0.0 112.827 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.9 p -86.37 -13.47 46.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.462 1.905 . . . . 0.0 113.335 167.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.81 150.43 96.38 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.026 0.93 . . . . 0.0 112.983 -172.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.75 143.24 81.2 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.668 2.912 . . . . 0.0 112.82 174.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -63.0 -45.92 90.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.97 0.908 . . . . 0.0 112.328 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -64.57 -29.67 70.69 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 22.6 t80 -67.83 -38.26 82.99 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.483 0.583 . . . . 0.0 111.139 174.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.6 mm -68.37 -41.27 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 O-C-N 121.445 -0.785 . . . . 0.0 111.493 171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.13 -49.5 75.74 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.089 0.858 . . . . 0.0 110.913 174.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -60.53 -39.46 87.95 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.898 0.879 . . . . 0.0 112.908 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -68.61 -27.49 66.08 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.042 -1.037 . . . . 0.0 112.876 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.6 mt -81.99 -55.98 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 C-N-CA 124.453 1.101 . . . . 0.0 110.88 173.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -55.25 -41.94 72.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.93 1.292 . . . . 0.0 112.528 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -77.02 8.57 3.7 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 69.0 p -74.13 -13.13 60.77 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 167.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.04 -0.6 78.46 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-O 119.297 -0.724 . . . . 0.0 113.464 -172.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -93.58 151.49 19.65 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.527 1.164 . . . . 0.0 109.319 162.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -93.29 140.89 29.04 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.782 -0.574 . . . . 0.0 111.976 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 p -94.11 110.42 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.662 1.185 . . . . 0.0 108.327 169.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.2 mtp85 -64.0 -37.31 86.95 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.6 1.96 . . . . 0.0 111.497 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.4 p -169.7 144.69 2.93 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.584 1.154 . . . . 0.0 112.287 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -128.44 144.32 15.18 Favored Glycine 0 N--CA 1.471 1.03 0 C-N-CA 125.585 1.564 . . . . 0.0 112.883 179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.1 pttt -144.86 147.53 32.91 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.309 1.225 . . . . 0.0 114.309 179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -86.96 126.51 34.76 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 126.207 1.803 . . . . 0.0 109.76 172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.254 1.307 0 C-N-CA 125.001 1.32 . . . . 0.0 111.951 179.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.583 0 CA-C-O 120.443 0.163 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 44.0 ttt180 -73.17 89.58 1.52 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 127.692 2.397 . . . . 0.0 109.601 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -59.62 140.73 56.13 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.667 1.187 . . . . 0.0 110.392 163.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 85.2 t -153.95 133.77 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.229 2.212 . . . . 0.0 108.662 -178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.405 HG22 HD23 ' B' ' 69' ' ' LEU . 18.6 mm -119.39 128.44 75.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 124.811 1.245 . . . . 0.0 107.859 -177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.0 145.01 50.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.156 0.583 . . . . 0.0 111.07 174.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.57 148.13 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 119.43 -0.319 . . . . 0.0 110.349 171.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 32.0 t -137.55 110.07 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.96 1.304 . . . . 0.0 109.361 -178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -99.82 70.38 1.62 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.94 1.296 . . . . 0.0 112.458 -168.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.44 37.26 0.03 OUTLIER Glycine 0 N--CA 1.475 1.275 0 N-CA-C 116.237 1.255 . . . . 0.0 116.237 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 93.2 mtp -68.39 -37.61 80.54 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -165.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.506 HG23 ' H ' ' B' ' 13' ' ' CYS 0.405 5.9 t 54.97 -124.68 2.17 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 127.57 2.348 . . . . 0.0 115.546 170.206 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . 0.506 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 m -79.97 172.45 13.76 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 115.751 1.76 . . . . 0.0 115.751 -154.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -64.7 -34.94 79.48 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.728 1.211 . . . . 0.0 113.604 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.26 -40.86 15.11 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.825 1.25 . . . . 0.0 112.329 171.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 95.3 m -54.8 -40.27 69.31 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.52 1.928 . . . . 0.0 113.544 -178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.72 -45.09 94.38 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 125.609 1.564 . . . . 0.0 112.554 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.58 -9.83 46.4 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.223 0.92 . . . . 0.0 113.336 -173.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -49.69 -36.02 23.69 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.252 1.021 . . . . 0.0 110.655 165.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 86.2 mt -57.75 -52.32 59.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.525 0.73 . . . . 0.0 110.396 175.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.64 -50.67 72.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.878 0.871 . . . . 0.0 112.193 172.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.8 m -53.22 -36.92 61.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.402 1.081 . . . . 0.0 112.934 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -88.67 -54.55 4.11 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.614 0.766 . . . . 0.0 112.888 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.1 -41.28 74.25 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.161 0.891 . . . . 0.0 112.501 -172.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -71.71 1.14 7.25 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.22 -0.08 33.65 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.339 1.855 . . . . 0.0 114.489 174.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 86.9 mt -83.1 3.9 28.61 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 116.557 2.058 . . . . 0.0 116.557 -171.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt 69.07 155.01 0.12 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 128.673 2.789 . . . . 0.0 113.43 -173.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.86 -32.56 0.62 Allowed Glycine 0 N--CA 1.48 1.588 0 C-N-CA 126.616 2.055 . . . . 0.0 114.372 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.7 p -43.85 129.36 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 128.608 2.763 . . . . 0.0 113.289 167.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 38.8 p -112.08 -38.78 4.67 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.079 1.352 . . . . 0.0 112.462 -176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -142.77 153.43 43.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.684 1.593 . . . . 0.0 111.45 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 41.9 t -159.46 100.13 1.48 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.473 1.509 . . . . 0.0 109.114 -178.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.68 171.99 7.52 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.301 1.841 . . . . 0.0 110.385 176.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 pt -143.09 166.44 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 126.18 1.792 . . . . 0.0 111.809 -178.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 41.8 t -145.71 129.36 17.09 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.096 0.959 . . . . 0.0 111.044 163.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.98 -39.72 63.47 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.904 0.882 . . . . 0.0 111.888 171.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.28 -36.01 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.993 0.815 . . . . 0.0 111.733 -175.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -112.5 10.99 19.71 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.363 1.065 . . . . 0.0 113.529 175.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 49.6 52.71 14.02 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.789 2.436 . . . . 0.0 114.236 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -135.48 156.7 48.47 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -170.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -112.85 134.37 54.4 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.051 1.74 . . . . 0.0 109.125 167.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -113.83 96.63 5.94 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.151 1.78 . . . . 0.0 107.152 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.76 133.82 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 C-N-CA 124.145 0.978 . . . . 0.0 112.115 -171.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.5 m -133.37 138.08 46.14 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.308 1.443 . . . . 0.0 108.659 -164.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -156.93 131.19 8.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.804 1.241 . . . . 0.0 110.57 -169.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -63.64 -47.95 79.26 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.473 1.109 . . . . 0.0 111.179 176.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -169.95 -150.49 0.08 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 127.459 2.304 . . . . 0.0 110.505 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 65.26 -35.34 0.19 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 131.493 3.917 . . . . 0.0 116.059 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.4 p -110.01 162.95 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 126.501 1.92 . . . . 0.0 110.843 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 8.4 t -132.66 145.09 50.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.7 2.0 . . . . 0.0 110.939 178.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.92 -30.46 61.68 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.094 1.358 . . . . 0.0 113.392 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -64.19 -38.73 92.1 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.455 0.702 . . . . 0.0 112.39 176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 72.7 m -72.72 -39.22 67.11 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 122.731 0.412 . . . . 0.0 110.98 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 85.8 mt -56.66 -47.85 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.504 0.722 . . . . 0.0 110.066 174.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -64.1 -9.18 14.94 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.755 1.622 . . . . 0.0 114.111 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -100.32 -48.13 4.69 Favored 'General case' 0 C--O 1.223 -0.324 0 O-C-N 120.546 -1.346 . . . . 0.0 108.86 173.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 12.0 mm -56.5 -46.18 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 126.545 1.938 . . . . 0.0 112.523 177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 10.9 tp -63.17 -25.31 38.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.42 0.688 . . . . 0.0 111.947 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -89.87 -28.68 19.08 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 119.339 -0.362 . . . . 0.0 111.767 173.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -62.06 -29.49 70.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.549 0.739 . . . . 0.0 110.662 170.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -57.77 -33.24 68.3 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.784 1.634 . . . . 0.0 114.508 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 105.31 14.98 20.85 Favored Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.691 1.139 . . . . 0.0 115.285 -164.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -102.94 -163.2 0.97 Allowed 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 118.592 1.196 . . . . 0.0 110.724 169.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -156.55 144.4 19.4 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 128.379 2.672 . . . . 0.0 107.617 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 18.9 p -160.97 169.33 22.78 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 -162.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -155.4 148.96 25.14 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 127.449 2.3 . . . . 0.0 107.759 166.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.26 124.44 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 176.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.405 HD23 HG22 ' B' ' 5' ' ' ILE . 1.3 tp -99.13 -49.99 4.3 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.803 1.241 . . . . 0.0 109.598 -164.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 89.2 mtt180 -155.07 150.96 27.8 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.978 1.711 . . . . 0.0 110.351 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -80.87 19.41 0.86 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.763 2.425 . . . . 0.0 114.444 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.487 1.384 0 C-N-CA 130.819 3.648 . . . . 0.0 112.195 -175.113 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.82 -154.75 0.24 Allowed 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.124 1.77 . . . . 0.0 112.849 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 82.72 150.59 0.09 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.703 2.401 . . . . 0.0 112.593 169.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 74.2 mt -54.01 138.17 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 124.685 1.194 . . . . 0.0 111.153 166.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -103.57 151.7 22.59 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.865 1.266 . . . . 0.0 110.589 171.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -111.43 126.81 55.35 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 110.449 177.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -120.84 143.89 48.64 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.705 1.202 . . . . 0.0 111.518 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -134.27 130.92 37.81 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.664 0.785 . . . . 0.0 110.146 172.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -124.53 153.06 42.66 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.64 1.976 . . . . 0.0 111.468 -175.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -101.77 123.72 46.2 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.538 1.535 . . . . 0.0 109.979 167.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.66 136.85 43.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 125.122 1.369 . . . . 0.0 110.367 -167.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.45 118.58 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.684 0.794 . . . . 0.0 111.596 -171.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 72.1 mtm -145.37 135.04 23.41 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -175.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.0 p -84.37 -29.67 26.06 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 126.714 2.006 . . . . 0.0 115.554 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.2 p -166.58 165.64 16.61 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.442 1.097 . . . . 0.0 113.212 -161.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.6 m -67.78 -16.5 64.15 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 175.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.59 -41.94 34.26 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.744 1.164 . . . . 0.0 111.123 169.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.7 t -58.51 -52.13 66.93 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.871 0.868 . . . . 0.0 110.949 172.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.7 p -66.54 -24.53 66.39 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.46 -42.77 47.49 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 119.245 0.929 . . . . 0.0 112.089 173.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.83 -47.23 72.65 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.469 1.108 . . . . 0.0 111.71 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.0 t -54.43 -50.6 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.419 0.687 . . . . 0.0 110.202 173.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -55.53 -38.69 69.59 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.517 0.599 . . . . 0.0 112.518 174.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -66.95 -32.72 74.15 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.436 HG21 HG22 ' A' ' 63' ' ' THR . 18.7 t -67.35 -37.48 79.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 CA-C-N 119.877 1.217 . . . . 0.0 110.906 171.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.59 -22.23 62.58 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 84.5 m -55.66 -26.58 45.37 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.455 1.502 . . . . 0.0 113.202 176.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -55.6 -24.74 34.73 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.44 1.496 . . . . 0.0 113.395 172.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.4 mt -105.49 2.95 28.97 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.113 1.765 . . . . 0.0 113.974 -170.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -53.43 -23.43 0.83 Allowed Pre-proline 0 N--CA 1.473 0.705 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 174.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.37 -27.41 84.81 Favored 'Trans proline' 0 CA--C 1.542 0.922 0 CA-C-N 122.521 1.936 . . . . 0.0 113.454 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -121.82 -23.75 5.41 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.29 1.436 . . . . 0.0 114.177 -175.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.8 t -94.7 125.08 47.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 125.79 1.636 . . . . 0.0 109.516 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.8 p -81.95 -35.28 29.23 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.7 tptp -159.54 137.09 9.9 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.287 1.035 . . . . 0.0 113.727 171.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.2 136.08 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 126.181 1.792 . . . . 0.0 109.285 163.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -143.89 119.24 10.24 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.61 1.164 . . . . 0.0 111.349 -177.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.31 137.57 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.904 0.881 . . . . 0.0 110.988 -175.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.3 m -114.88 87.03 2.56 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.223 1.809 . . . . 0.0 109.547 174.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.4 tp -57.09 -45.32 83.45 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.484 1.114 . . . . 0.0 113.706 -167.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.7 mp0 -67.1 -27.62 67.49 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.237 0.829 . . . . 0.0 113.237 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 92.4 mttt -93.45 -4.23 51.63 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.024 0.93 . . . . 0.0 112.622 172.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 59.34 29.34 18.88 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.338 2.255 . . . . 0.0 113.184 -176.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 mt -103.28 152.81 21.09 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 124.759 1.224 . . . . 0.0 112.868 -175.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.95 129.59 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 126.345 1.858 . . . . 0.0 109.379 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -113.99 134.43 54.85 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.764 1.626 . . . . 0.0 111.687 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -134.88 143.94 36.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.088 1.355 . . . . 0.0 110.879 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -125.04 120.49 31.65 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.883 1.673 . . . . 0.0 110.76 169.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.5 t -169.22 172.47 7.31 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 113.718 1.007 . . . . 0.0 113.718 -175.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 p -106.78 6.19 29.31 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 129.169 2.988 . . . . 0.0 113.127 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.8 159.96 79.93 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 124.485 1.114 . . . . 0.0 111.577 171.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -65.56 146.94 85.96 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.4 2.734 . . . . 0.0 113.69 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -53.13 -54.17 39.66 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.643 1.577 . . . . 0.0 112.727 174.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -70.73 -27.5 64.01 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.737 0.815 . . . . 0.0 112.927 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' CZ ' ' HE2' ' A' ' 59' ' ' LYS . 68.3 t80 -65.45 -39.29 91.86 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.77 -0.581 . . . . 0.0 110.983 172.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.4 mm -68.88 -40.73 81.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 CA-C-O 118.325 -0.845 . . . . 0.0 111.487 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -56.45 -43.69 79.75 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.638 1.108 . . . . 0.0 111.309 173.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 32.0 mt-10 -62.48 -43.51 98.65 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.141 0.976 . . . . 0.0 113.278 175.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HE2' ' CZ ' ' A' ' 55' ' ' PHE . 24.8 mmtt -72.8 -19.46 61.33 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 119.988 1.267 . . . . 0.0 113.034 177.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 91.5 mt -73.14 -53.44 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 O-C-N 121.126 -0.984 . . . . 0.0 110.167 164.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HE3' ' HA ' ' A' ' 58' ' ' GLU . 44.8 mtmt -57.43 -31.86 66.32 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.45 1.023 . . . . 0.0 113.348 178.106 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.23 -31.98 22.53 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.38 1.472 . . . . 0.0 113.89 170.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.436 HG22 HG21 ' A' ' 25' ' ' VAL . 44.1 p -63.11 -16.38 59.79 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.833 1.253 . . . . 0.0 114.191 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.92 -0.11 83.97 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.578 1.085 . . . . 0.0 114.06 -173.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -99.69 165.91 11.37 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.122 1.369 . . . . 0.0 111.41 172.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -94.87 137.46 33.91 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.949 1.7 . . . . 0.0 112.527 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.7 p -98.23 136.18 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.448 1.499 . . . . 0.0 109.199 163.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.7 mtm180 -101.63 -40.0 7.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.844 1.258 . . . . 0.0 113.587 -173.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 55.2 p -159.8 161.84 34.68 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.419 1.008 . . . . 0.0 111.265 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -176.03 154.48 17.2 Favored Glycine 0 N--CA 1.471 0.984 0 N-CA-C 116.648 1.419 . . . . 0.0 116.648 179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -152.26 167.26 29.19 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.584 1.554 . . . . 0.0 113.551 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.2 142.97 31.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.81 0.844 . . . . 0.0 110.655 158.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt . . . . . 0 C--O 1.252 1.227 0 CA-C-O 116.469 -1.729 . . . . 0.0 113.942 -174.769 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -70.08 95.88 1.01 Allowed 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 127.987 2.515 . . . . 0.0 109.983 -173.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -59.94 137.15 58.15 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.855 156.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.0 144.72 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.677 0.751 . . . . 0.0 110.714 161.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 23.4 mm -119.24 129.82 74.73 Favored 'Isoleucine or valine' 0 C--O 1.236 0.358 0 C-N-CA 126.191 1.796 . . . . 0.0 107.29 -176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.31 142.68 48.88 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.469 0.577 . . . . 0.0 111.004 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -81.03 118.53 22.57 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 118.28 -0.867 . . . . 0.0 108.822 168.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 40.5 t -97.55 101.99 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 CA-C-N 119.669 1.122 . . . . 0.0 108.672 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 19.0 m-70 -75.92 -32.23 59.5 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.479 0.712 . . . . 0.0 112.81 -176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.2 -7.2 68.0 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 124.941 1.258 . . . . 0.0 115.664 -168.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.2 ptm -71.09 161.4 31.18 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.418 1.609 . . . . 0.0 111.675 173.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -140.67 -16.28 0.9 Allowed 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 165.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 p -137.47 170.25 16.4 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.155 1.539 . . . . 0.0 115.155 -172.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.4 p -86.36 -1.97 58.01 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 -179.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -94.51 -47.68 6.44 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.442 1.097 . . . . 0.0 112.743 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 73.5 m -64.81 -29.03 69.97 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.927 0.891 . . . . 0.0 112.834 177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -29.76 68.23 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.34 1.056 . . . . 0.0 112.576 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.59 -20.02 65.32 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 119.928 1.24 . . . . 0.0 112.426 174.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.5 m -57.3 -32.17 66.4 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.931 1.241 . . . . 0.0 110.842 173.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.77 -50.52 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 118.478 0.581 . . . . 0.0 109.742 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -59.17 -51.13 71.31 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 118.419 -0.801 . . . . 0.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 86.0 m -54.44 -38.94 66.9 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.314 1.415 . . . . 0.0 113.944 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -83.81 -33.51 24.92 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.747 1.158 . . . . 0.0 113.406 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 70.3 mt -80.47 -39.71 27.55 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.575 1.08 . . . . 0.0 112.686 178.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -61.94 -7.36 3.7 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.981 1.313 . . . . 0.0 113.661 173.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.99 -33.36 14.17 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.299 2.9 pp -83.54 17.48 2.19 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 117.614 2.45 . . . . 0.0 117.614 -160.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt 69.29 27.23 5.15 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.811 2.044 . . . . 0.0 114.296 167.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -140.62 -16.08 0.46 Allowed Glycine 0 N--CA 1.478 1.454 0 N-CA-C 117.768 1.867 . . . . 0.0 117.768 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 58.3 t -107.28 137.74 36.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.607 1.963 . . . . 0.0 110.789 -169.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 43.6 p -93.46 -40.48 10.32 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.076 0.951 . . . . 0.0 111.85 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -161.36 157.55 25.5 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.148 1.379 . . . . 0.0 112.26 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.2 t -152.19 104.64 2.98 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.476 1.91 . . . . 0.0 110.253 -175.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -107.05 -176.49 3.09 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.338 1.855 . . . . 0.0 110.778 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -156.16 139.4 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.357 1.463 . . . . 0.0 110.233 -175.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 65.1 m -114.15 109.25 18.11 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.041 0.936 . . . . 0.0 109.327 167.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.56 -35.64 73.19 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.681 1.592 . . . . 0.0 115.008 -163.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.1 t -73.4 -35.27 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.976 0.807 . . . . 0.0 112.072 -178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 10.3 p -96.34 -9.14 30.78 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.623 1.569 . . . . 0.0 113.325 178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.5 m120 64.12 30.99 13.66 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.302 2.241 . . . . 0.0 113.094 176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -84.48 118.74 24.48 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.007 1.323 . . . . 0.0 109.763 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.48 122.23 30.94 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 165.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -119.54 90.22 3.29 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.867 -1.161 . . . . 0.0 107.867 -164.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -122.17 148.39 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.182 1.393 . . . . 0.0 112.706 -167.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -141.66 117.81 10.67 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.313 1.445 . . . . 0.0 108.778 -167.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -148.58 -158.47 0.92 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.357 1.063 . . . . 0.0 110.914 -164.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -153.84 176.34 12.27 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.711 1.604 . . . . 0.0 113.52 -176.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -41.17 -32.65 0.29 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 128.778 2.831 . . . . 0.0 116.294 -170.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -45.4 -35.62 3.77 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 127.738 2.415 . . . . 0.0 113.795 173.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 11.2 p -135.28 156.58 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.708 1.203 . . . . 0.0 111.014 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -122.18 154.07 37.95 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.955 1.702 . . . . 0.0 111.204 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.14 -31.57 63.46 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.362 1.065 . . . . 0.0 112.443 175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -61.37 -33.49 73.73 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.92 0.888 . . . . 0.0 112.438 175.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 51.4 m -85.15 -31.35 23.32 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.271 176.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.1 mt -62.03 -40.66 88.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 O-C-N 121.07 -1.019 . . . . 0.0 109.367 172.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.6 2.45 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.468 1.907 . . . . 0.0 115.568 167.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -110.81 -46.55 3.34 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.537 1.135 . . . . 0.0 109.373 168.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 29.6 mm -56.81 -48.57 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.075 1.35 . . . . 0.0 112.685 175.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 58.6 mt -62.9 -24.72 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 O-C-N 121.047 -1.033 . . . . 0.0 110.936 177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -88.81 -26.06 21.89 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 175.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . 0.267 2.7 p30 -89.72 -5.98 56.49 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 120.052 1.296 . . . . 0.0 114.215 172.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 78.0 m -76.03 -22.35 55.84 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.986 153.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 108.25 16.3 12.53 Favored Glycine 0 CA--C 1.536 1.356 0 C-N-CA 125.537 1.541 . . . . 0.0 116.636 175.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -98.3 -148.37 0.33 Allowed 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 119.986 1.893 . . . . 0.0 110.742 176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -160.44 155.38 24.37 Favored 'General case' 0 C--O 1.232 0.168 0 C-N-CA 125.105 1.362 . . . . 0.0 108.534 172.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.8 p -166.64 165.79 16.4 Favored 'General case' 0 C--O 1.238 0.46 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 -168.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -140.62 158.46 43.96 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 126.346 1.858 . . . . 0.0 109.878 161.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.93 113.81 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 172.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.8 tp -92.82 -44.37 8.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.828 1.251 . . . . 0.0 109.686 -165.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -157.81 156.34 31.33 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.425 2.29 . . . . 0.0 109.264 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -84.99 18.36 2.52 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 126.829 2.051 . . . . 0.0 112.578 166.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.255 1.373 1 C-N-CA 132.9 4.48 . . . . 0.0 109.281 -165.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 tpt . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.72 168.07 14.64 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.539 1.935 . . . . 0.0 111.442 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -135.73 162.31 33.13 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.179 0.992 . . . . 0.0 112.348 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.4 mt -76.45 114.5 16.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.543 1.137 . . . . 0.0 110.5 172.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -104.65 156.56 17.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.653 1.181 . . . . 0.0 111.445 175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -104.85 142.16 35.22 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.281 1.032 . . . . 0.0 112.072 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -140.3 149.23 42.52 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.604 1.561 . . . . 0.0 110.853 177.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -141.77 133.47 27.07 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.711 0.805 . . . . 0.0 111.488 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -127.71 142.1 51.42 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.247 1.419 . . . . 0.0 111.312 177.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.24 124.46 36.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.397 1.079 . . . . 0.0 108.995 161.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -128.42 139.28 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.718 1.207 . . . . 0.0 109.754 -169.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.5 t -72.24 115.03 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 123.356 0.662 . . . . 0.0 109.752 176.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.9 mtm -137.19 121.91 18.63 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.564 1.146 . . . . 0.0 110.113 177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 84.9 m -91.55 -30.36 16.44 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.027 0.931 . . . . 0.0 113.171 -174.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.3 t -151.39 170.68 18.98 Favored 'General case' 0 CA--C 1.562 1.431 0 C-N-CA 126.506 1.922 . . . . 0.0 111.734 -177.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.5 m -71.26 -6.52 40.39 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -173.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.57 61.07 Favored Glycine 0 CA--C 1.528 0.882 0 O-C-N 120.777 -1.202 . . . . 0.0 111.008 169.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.4 m -63.65 -45.47 90.01 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 117.768 0.784 . . . . 0.0 112.587 173.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 67.7 p -63.32 -38.31 90.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.629 1.104 . . . . 0.0 112.299 176.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.09 -35.63 89.24 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-N 118.748 0.704 . . . . 0.0 113.089 174.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.13 72.51 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.119 0.968 . . . . 0.0 111.765 172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -59.7 -43.93 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.227 0.611 . . . . 0.0 110.647 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -54.45 -47.81 72.45 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.913 0.779 . . . . 0.0 110.931 170.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -58.2 -39.74 79.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.391 0.996 . . . . 0.0 112.792 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.1 t -54.76 -46.85 74.54 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 CA-C-N 119.762 1.165 . . . . 0.0 111.806 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.9 -33.66 30.34 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -67.44 -15.76 63.85 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.167 1.387 . . . . 0.0 112.493 175.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 tttp -74.81 -7.8 54.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.468 1.507 . . . . 0.0 113.74 165.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.5 mt -125.92 8.29 7.42 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.372 1.469 . . . . 0.0 114.672 -170.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -48.2 -36.62 11.6 Favored Pre-proline 0 N--CA 1.475 0.784 0 N-CA-C 116.439 2.015 . . . . 0.0 116.439 -170.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -53.95 -17.84 11.72 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 122.396 2.064 . . . . 0.0 115.858 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -119.36 -0.25 10.98 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.534 1.133 . . . . 0.0 113.373 173.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.4 t -122.14 118.81 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.198 1.399 . . . . 0.0 109.098 -173.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 p -98.25 -19.4 17.85 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.603 1.335 . . . . 0.0 114.603 -168.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -156.87 139.65 15.16 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.472 1.109 . . . . 0.0 111.444 170.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.0 mt -128.79 132.48 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.904 2.082 . . . . 0.0 107.859 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.2 t0 -145.42 105.17 3.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.184 0.993 . . . . 0.0 111.328 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 22.9 mm -102.05 121.91 53.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 125.852 1.661 . . . . 0.0 110.382 -174.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.9 m -117.59 97.98 6.15 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.001 1.32 . . . . 0.0 110.717 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 tp -65.95 -44.75 84.12 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 121.268 -0.895 . . . . 0.0 112.479 179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -60.01 -48.07 83.25 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.24 0.927 . . . . 0.0 111.071 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -87.85 2.77 50.57 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.737 1.215 . . . . 0.0 113.508 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 53.23 25.42 4.35 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.657 2.783 . . . . 0.0 115.629 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 31.0 mt -105.18 152.21 23.1 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.073 1.349 . . . . 0.0 113.339 -172.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.0 t -128.58 119.2 49.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 127.177 2.191 . . . . 0.0 107.748 174.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.3 121.24 39.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 109.775 -178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 97.1 t -135.37 140.89 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.647 0.779 . . . . 0.0 112.107 -171.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -117.31 123.72 47.22 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.195 1.798 . . . . 0.0 111.137 171.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.2 t -163.46 153.22 15.15 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -173.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.0 p -77.8 -10.23 59.44 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.144 1.778 . . . . 0.0 113.554 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 67.2 mt -65.53 150.36 96.09 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.687 1.195 . . . . 0.0 112.575 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -75.59 150.84 36.23 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 123.634 2.889 . . . . 0.0 111.659 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.6 t80 -64.58 -44.95 89.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -169.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.83 -23.28 66.65 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -71.78 -34.54 69.52 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.34 -0.85 . . . . 0.0 111.912 171.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.99 -40.93 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 O-C-N 121.419 -0.8 . . . . 0.0 109.943 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.21 -41.56 97.05 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 118.44 -0.79 . . . . 0.0 111.419 174.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -57.07 -44.17 82.8 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.351 0.978 . . . . 0.0 112.954 171.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' HE2' ' N ' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -61.73 -50.36 72.72 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.363 0.983 . . . . 0.0 110.5 174.468 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.05 -50.56 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.339 1.055 . . . . 0.0 111.737 -177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -66.56 -27.76 67.99 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 120.796 -1.19 . . . . 0.0 112.392 -177.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -84.91 -9.64 57.9 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 170.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.31 -9.28 58.29 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 -169.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.46 8.63 87.09 Favored Glycine 0 N--CA 1.473 1.115 0 CA-C-N 119.564 1.075 . . . . 0.0 115.273 178.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -129.92 132.61 46.42 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.798 1.639 . . . . 0.0 109.067 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -68.7 141.97 55.15 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 122.981 0.512 . . . . 0.0 112.35 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.2 p -107.91 131.57 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.657 1.183 . . . . 0.0 109.739 172.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.1 mtt-85 -91.24 -43.66 9.69 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.76 0.824 . . . . 0.0 112.8 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.1 p -158.17 126.07 5.25 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.845 0.858 . . . . 0.0 111.623 -171.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -131.01 131.08 6.29 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 124.903 1.239 . . . . 0.0 113.054 -170.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -140.41 152.89 46.08 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.414 1.086 . . . . 0.0 113.754 -171.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -104.33 139.7 38.94 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 126.557 1.943 . . . . 0.0 110.084 167.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 124.978 1.311 . . . . 0.0 113.389 -168.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -125.05 98.91 5.88 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.984 1.313 . . . . 0.0 111.017 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -64.54 126.57 28.28 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.912 1.285 . . . . 0.0 111.235 165.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 m -122.26 146.73 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.982 1.713 . . . . 0.0 109.624 165.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 24.4 mm -112.06 127.05 69.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mt -105.15 151.0 24.58 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.741 0.7 . . . . 0.0 109.515 170.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.36 143.29 29.57 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 160.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 t -139.88 91.41 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.137 1.375 . . . . 0.0 109.112 -176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -77.11 25.09 0.16 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -170.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -140.72 20.75 2.72 Favored Glycine 0 N--CA 1.472 1.065 0 CA-C-O 118.117 -1.38 . . . . 0.0 116.379 -170.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 19.0 mmt -55.95 155.33 6.34 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 119.659 1.729 . . . . 0.0 114.518 -178.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.0 t -166.93 175.46 7.66 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 126.599 1.959 . . . . 0.0 109.881 -161.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 p -68.25 176.45 2.75 Favored 'General case' 0 CA--C 1.56 1.344 0 C-N-CA 128.164 2.586 . . . . 0.0 115.259 -171.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 71.4 p -66.8 -23.28 66.04 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.358 1.985 . . . . 0.0 116.358 -164.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.35 -11.89 33.83 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.77 1.168 . . . . 0.0 113.653 174.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.8 m -99.08 -23.31 15.31 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 127.021 2.128 . . . . 0.0 113.004 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -78.93 -36.13 42.26 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.196 1.398 . . . . 0.0 113.754 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -67.46 -14.33 62.83 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 58.9 m -50.31 -31.28 13.99 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.038 0.935 . . . . 0.0 110.97 161.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 55.9 mt -74.1 -73.41 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 123.312 0.645 . . . . 0.0 111.244 165.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -31.36 71.99 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.043 1.497 . . . . 0.0 115.043 -162.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.8 m -59.8 -38.52 82.16 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.174 0.897 . . . . 0.0 111.69 168.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -76.67 -36.66 57.18 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.357 0.98 . . . . 0.0 112.475 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 74.2 mt -58.27 -30.91 66.96 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.222 0.919 . . . . 0.0 111.981 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 36.6 ttp-105 -77.4 -23.86 50.58 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.629 1.172 . . . . 0.0 114.091 170.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.73 -35.62 51.74 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 120.876 -1.14 . . . . 0.0 113.736 -179.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.33 10.98 9.18 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 117.083 2.253 . . . . 0.0 117.083 -160.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 67.05 178.26 0.23 Allowed 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 128.509 2.723 . . . . 0.0 113.082 -175.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.12 -47.05 1.9 Allowed Glycine 0 N--CA 1.478 1.487 0 C-N-CA 127.038 2.256 . . . . 0.0 115.706 169.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.8 131.88 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 126.894 2.077 . . . . 0.0 111.318 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.2 t -108.73 -28.29 9.31 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.442 1.497 . . . . 0.0 111.991 175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -148.11 148.09 30.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.533 1.133 . . . . 0.0 111.601 170.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 26.2 p -145.72 148.37 32.94 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.655 0.782 . . . . 0.0 113.028 171.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -154.9 158.46 39.34 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.707 2.003 . . . . 0.0 110.168 -176.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 39.9 pt -131.53 138.01 54.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 125.389 1.475 . . . . 0.0 112.102 -176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 68.8 m -119.62 90.42 3.33 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.221 1.408 . . . . 0.0 110.459 -178.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 8.1 mp -52.54 -46.57 66.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.24 1.816 . . . . 0.0 113.034 178.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -56.44 -32.47 36.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 C-N-CA 124.001 0.92 . . . . 0.0 113.21 -177.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 11.3 p -114.45 2.63 14.7 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.761 1.625 . . . . 0.0 113.626 -177.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.92 37.28 24.0 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.375 1.87 . . . . 0.0 113.444 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -122.62 169.64 10.83 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.285 1.434 . . . . 0.0 111.417 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 30.3 p -137.59 134.7 35.88 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.521 -0.737 . . . . 0.0 112.552 174.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -93.78 95.36 9.09 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.1 138.16 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 124.552 1.141 . . . . 0.0 110.283 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.4 m -134.27 127.24 31.43 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.314 1.046 . . . . 0.0 109.32 -167.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -151.8 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.931 0.892 . . . . 0.0 112.761 -168.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -153.22 -177.49 6.35 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 128.133 2.573 . . . . 0.0 109.964 174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -54.38 -18.85 4.57 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.304 1.442 . . . . 0.0 113.676 176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -49.46 -23.91 1.77 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.436 2.294 . . . . 0.0 113.842 168.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 p -156.4 163.06 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 120.64 1.564 . . . . 0.0 112.145 169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -125.51 145.9 49.89 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.494 1.518 . . . . 0.0 111.971 -178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.39 -16.93 51.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.291 1.436 . . . . 0.0 113.455 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -77.7 -28.46 50.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.032 0.933 . . . . 0.0 112.938 173.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -78.7 -46.51 18.89 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.334 -0.854 . . . . 0.0 110.185 170.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 84.5 mt -54.23 -43.95 62.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.242 0.617 . . . . 0.0 110.262 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.9 tttm -50.54 -49.4 56.01 Favored 'General case' 0 C--O 1.22 -0.482 0 C-N-CA 123.521 0.728 . . . . 0.0 112.95 172.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -78.27 -26.46 47.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 120.282 1.401 . . . . 0.0 110.781 -171.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.32 -51.85 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.834 1.253 . . . . 0.0 110.781 168.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 46.1 mm -75.97 -23.52 16.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 O-C-N 121.3 -0.875 . . . . 0.0 111.618 -175.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -73.05 -32.37 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.755 0.822 . . . . 0.0 111.924 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -72.04 -21.11 61.58 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 119.937 1.244 . . . . 0.0 113.732 165.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.7 m -73.58 -18.79 61.02 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.525 1.13 . . . . 0.0 113.489 170.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.76 23.17 8.41 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 125.175 1.369 . . . . 0.0 115.329 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -104.47 -158.23 0.65 Allowed 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.678 1.239 . . . . 0.0 110.109 170.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -142.43 16.74 2.03 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.158 1.169 . . . . 0.0 114.158 -163.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.9 p -73.82 154.37 39.53 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 115.469 1.655 . . . . 0.0 115.469 -162.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -160.06 145.78 15.41 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 125.719 1.607 . . . . 0.0 108.241 177.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 20.0 tt -54.05 131.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 121.654 0.74 . . . . 0.0 112.25 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.7 tp -95.97 -52.29 4.11 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.321 1.448 . . . . 0.0 107.849 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -162.42 138.89 7.72 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.909 1.284 . . . . 0.0 111.426 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.13 60.97 0.43 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.785 2.434 . . . . 0.0 111.634 167.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 130.015 3.326 . . . . 0.0 113.628 177.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.06 47.59 0.06 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.683 1.593 . . . . 0.0 111.088 -168.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -98.38 165.05 12.03 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.609 1.564 . . . . 0.0 110.863 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 83.6 mt -74.94 138.17 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.883 0.849 . . . . 0.0 110.941 -177.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -112.37 159.02 19.1 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.928 2.091 . . . . 0.0 110.685 165.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -117.59 140.78 49.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.341 1.456 . . . . 0.0 111.286 171.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -140.5 150.9 44.33 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.602 1.961 . . . . 0.0 110.673 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -136.57 134.74 37.78 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.519 -0.738 . . . . 0.0 110.543 172.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -127.66 138.03 52.7 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.895 1.278 . . . . 0.0 111.175 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -96.66 119.85 35.9 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.413 1.485 . . . . 0.0 109.222 166.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.51 130.68 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.746 1.218 . . . . 0.0 110.833 -173.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.7 t -84.55 97.23 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.19 0.996 . . . . 0.0 109.401 -174.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.5 mtt -73.32 -31.33 63.93 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -161.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p 73.97 -36.92 0.35 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 129.685 3.194 . . . . 0.0 114.445 176.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.0 t -164.54 175.29 10.0 Favored 'General case' 0 CA--C 1.558 1.279 0 C-N-CA 127.73 2.412 . . . . 0.0 110.567 176.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.1 m -71.41 -16.39 62.39 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.08 -32.72 73.17 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.912 0.778 . . . . 0.0 113.47 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 42.5 t -52.01 -44.85 64.34 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.737 1.215 . . . . 0.0 112.828 176.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.1 p -59.05 -22.13 60.23 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.4 -41.44 4.82 Favored Glycine 0 C--N 1.341 0.826 0 C-N-CA 125.042 1.306 . . . . 0.0 112.315 170.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.77 -53.62 55.8 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.376 1.07 . . . . 0.0 112.044 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.04 -41.09 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 123.146 0.578 . . . . 0.0 110.545 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.1 t-20 -55.13 -51.24 67.08 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.257 0.623 . . . . 0.0 110.871 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -61.35 -47.9 83.78 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 117.99 -1.005 . . . . 0.0 113.571 177.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.35 -43.31 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-N 120.27 1.396 . . . . 0.0 111.528 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.81 -28.42 62.55 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.343 -0.848 . . . . 0.0 112.984 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.1 m -62.6 -30.53 71.4 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.256 1.022 . . . . 0.0 111.935 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -56.39 -21.26 23.79 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.665 1.12 . . . . 0.0 113.531 170.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.3 mt -112.36 11.89 20.09 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.696 1.598 . . . . 0.0 113.785 -170.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -53.01 -30.91 6.36 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 117.145 2.276 . . . . 0.0 117.145 -177.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -60.72 -17.89 52.42 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 CA-C-N 121.891 1.711 . . . . 0.0 113.607 173.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -107.96 -35.16 6.7 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 112.785 168.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.36 105.75 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.045 1.738 . . . . 0.0 110.801 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 70.0 p -84.44 -18.22 36.67 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.401 1.48 . . . . 0.0 114.818 -170.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -162.38 136.32 6.41 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.272 1.029 . . . . 0.0 112.954 175.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.4 mt -133.37 127.56 54.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.936 1.694 . . . . 0.0 110.179 178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -137.07 138.51 40.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.867 1.267 . . . . 0.0 111.186 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 37.2 mm -105.29 146.44 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.177 1.791 . . . . 0.0 110.665 -176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 m -131.49 101.44 5.52 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.889 1.275 . . . . 0.0 110.813 173.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.13 -51.43 63.95 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -170.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -66.5 -52.05 50.14 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.137 0.881 . . . . 0.0 110.857 -176.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -71.05 -4.56 25.64 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.211 1.404 . . . . 0.0 113.327 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 55.9 30.96 16.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.709 2.004 . . . . 0.0 113.621 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.2 mt -102.94 155.99 17.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.819 1.248 . . . . 0.0 113.162 -175.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -133.31 131.83 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.339 1.856 . . . . 0.0 109.174 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -110.71 118.45 36.19 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.284 1.834 . . . . 0.0 110.066 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -123.66 134.82 65.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.714 1.206 . . . . 0.0 110.866 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -121.58 132.55 54.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.442 1.497 . . . . 0.0 109.646 168.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 t -167.92 154.1 7.51 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -171.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.2 p -75.62 -6.75 51.94 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.556 1.542 . . . . 0.0 113.562 169.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.86 157.81 78.7 Favored Pre-proline 0 CA--C 1.549 0.928 0 C-N-CA 125.835 1.654 . . . . 0.0 113.868 -176.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.58 159.8 48.05 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 123.96 3.107 . . . . 0.0 112.138 172.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.96 -52.79 17.72 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.053 1.341 . . . . 0.0 113.861 -168.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.39 -21.85 66.23 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -174.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -64.66 -39.87 94.45 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.586 0.754 . . . . 0.0 111.583 170.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.2 mm -73.91 -38.87 50.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-O 118.768 -0.634 . . . . 0.0 111.304 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 mt -52.87 -50.23 64.22 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.462 0.574 . . . . 0.0 110.957 173.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -67.32 -44.21 79.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.582 0.753 . . . . 0.0 112.885 177.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -59.89 -33.53 71.96 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 120.156 1.344 . . . . 0.0 112.771 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 96.8 mt -72.59 -59.77 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.748 1.219 . . . . 0.0 110.483 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -57.17 -35.65 69.83 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.574 1.079 . . . . 0.0 113.187 -175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 3.22 20.28 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.2 p -63.23 -33.48 75.58 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.234 -0.916 . . . . 0.0 112.065 163.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.97 -3.0 14.58 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.116 1.341 . . . . 0.0 114.008 -170.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -108.52 141.83 39.83 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.751 1.276 . . . . 0.0 112.085 177.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -81.78 158.44 24.12 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.594 1.158 . . . . 0.0 111.726 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.38 143.89 30.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.619 1.168 . . . . 0.0 111.322 177.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.45 -42.95 21.73 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 122.312 -0.242 . . . . 0.0 110.998 172.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 51.6 p -171.61 148.6 2.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.365 1.066 . . . . 0.0 112.951 172.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.6 159.57 21.03 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.404 1.002 . . . . 0.0 111.529 159.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -140.86 150.63 43.49 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 121.989 0.899 . . . . 0.0 113.15 167.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -98.44 130.03 45.06 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 126.898 2.079 . . . . 0.0 110.044 177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.0 mt . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.257 1.823 . . . . 0.0 111.262 -174.598 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 111.406 0.15 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -161.49 117.45 2.12 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.687 1.195 . . . . 0.0 112.398 173.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mp0 -66.78 132.18 47.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.688 1.195 . . . . 0.0 109.352 154.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 15.6 m -147.37 142.58 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.822 1.649 . . . . 0.0 111.884 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 45.8 mm -118.76 108.7 24.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 125.864 1.666 . . . . 0.0 107.685 -178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.3 mp -104.56 135.82 45.26 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.409 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.09 145.93 35.51 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.741 1.155 . . . . 0.0 110.374 170.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.52 113.62 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.12 1.368 . . . . 0.0 107.739 172.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -84.39 25.82 0.84 Allowed 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -165.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -141.31 18.44 2.67 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 125.251 1.405 . . . . 0.0 115.488 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.7 mmt -51.45 151.8 2.9 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 118.967 1.384 . . . . 0.0 113.703 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -170.26 -148.7 0.06 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.997 1.719 . . . . 0.0 110.465 -160.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -74.51 172.62 11.65 Favored 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.904 1.681 . . . . 0.0 114.08 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 89.3 p -75.67 -26.57 57.77 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -155.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.51 -35.9 13.35 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.648 1.113 . . . . 0.0 111.366 174.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.7 m -56.5 -37.01 69.81 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.931 1.293 . . . . 0.0 112.505 171.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 9.4 p -79.14 -56.1 4.62 Favored 'General case' 0 C--N 1.343 0.295 0 C-N-CA 125.417 1.487 . . . . 0.0 112.871 177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -71.52 6.79 1.67 Allowed 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 119.747 1.158 . . . . 0.0 114.104 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.8 m -38.96 -49.81 1.72 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.218 1.007 . . . . 0.0 110.596 145.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.17 -55.87 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 123.762 0.825 . . . . 0.0 110.686 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -58.38 -44.91 89.11 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.46 0.704 . . . . 0.0 111.722 -174.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 48.6 m -45.93 -35.01 4.29 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.719 1.208 . . . . 0.0 114.103 168.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -91.55 -47.91 7.15 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 120.561 1.528 . . . . 0.0 113.382 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . 0.291 2.4 pp -70.76 -29.89 66.23 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.988 1.267 . . . . 0.0 113.341 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 ttt180 -60.06 -29.55 68.61 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.519 1.054 . . . . 0.0 112.192 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.93 -6.69 59.02 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -169.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . 0.271 3.8 pp -73.48 10.54 1.01 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -169.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt 59.08 28.51 17.81 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.647 2.779 . . . . 0.0 113.757 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.64 -3.93 0.11 Allowed Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.332 1.92 . . . . 0.0 116.651 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 17.8 t -94.6 129.02 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 CA-C-N 119.146 1.473 . . . . 0.0 108.438 173.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 24.4 m -97.95 -47.72 5.43 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.219 1.008 . . . . 0.0 110.944 -172.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -136.14 148.84 48.4 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.901 1.681 . . . . 0.0 109.901 -178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 7.0 p -176.2 133.65 0.25 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.817 1.247 . . . . 0.0 113.981 -167.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -163.75 -178.89 6.0 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.441 2.696 . . . . 0.0 108.776 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -128.19 153.13 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 127.05 2.14 . . . . 0.0 110.985 179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.3 t -135.23 148.48 49.62 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.2 1.4 . . . . 0.0 109.223 170.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.26 12.46 29.99 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.417 1.087 . . . . 0.0 111.538 173.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.12 -35.7 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 CA-C-N 118.804 0.729 . . . . 0.0 110.925 176.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.41 -20.55 8.42 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.354 1.462 . . . . 0.0 111.476 168.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.253 78.0 m-20 90.2 47.7 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 129.802 3.241 . . . . 0.0 110.504 -174.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -111.04 149.43 30.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.731 1.612 . . . . 0.0 114.465 -170.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 99.6 m -91.15 126.48 36.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.565 1.146 . . . . 0.0 109.098 161.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -106.32 85.47 2.19 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.323 1.049 . . . . 0.0 108.947 -174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 99.3 t -121.72 157.29 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 125.79 1.636 . . . . 0.0 112.009 -160.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 98.2 m -147.47 136.26 22.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.979 1.712 . . . . 0.0 109.504 -173.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -141.64 147.13 37.07 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 123.213 1.482 . . . . 0.0 111.261 -174.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -77.36 -68.22 0.64 Allowed 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 128.729 2.812 . . . . 0.0 113.589 -173.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 178.0 154.6 0.34 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 128.408 2.683 . . . . 0.0 108.917 -173.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 80.38 36.17 0.12 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 129.583 3.153 . . . . 0.0 111.099 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 57.9 t -159.02 148.7 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 127.543 2.337 . . . . 0.0 108.714 -161.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 7.1 t -148.41 147.66 29.45 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.477 1.511 . . . . 0.0 110.545 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.37 -27.01 67.07 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.19 -35.65 69.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.694 1.198 . . . . 0.0 112.61 171.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 42.0 m -78.83 -37.02 41.6 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.118 0.967 . . . . 0.0 111.651 175.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 75.7 mt -64.14 -35.68 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.624 -0.673 . . . . 0.0 110.285 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -54.76 -33.69 61.58 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.856 -1.152 . . . . 0.0 112.661 168.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.85 -28.55 55.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 120.057 1.299 . . . . 0.0 110.62 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 67.5 mt -70.14 -47.4 68.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.11 1.364 . . . . 0.0 110.101 171.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 86.2 mt -65.37 -32.39 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.349 1.06 . . . . 0.0 111.226 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -75.72 -32.88 60.23 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 122.881 0.472 . . . . 0.0 111.574 171.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -69.37 -19.75 63.84 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 168.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 75.3 m -81.74 -4.29 55.92 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.808 1.643 . . . . 0.0 112.683 164.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.91 9.54 65.82 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 125.477 1.513 . . . . 0.0 116.329 172.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.14 -155.25 0.43 Allowed 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.897 1.848 . . . . 0.0 111.892 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -152.25 137.0 17.02 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 126.997 2.119 . . . . 0.0 107.152 179.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.5 p -167.61 158.3 11.13 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.409 1.262 . . . . 0.0 114.409 -155.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.94 154.24 17.41 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.904 1.281 . . . . 0.0 110.601 -171.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 tp -75.89 107.09 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -82.54 -43.91 16.53 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.555 1.142 . . . . 0.0 109.085 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -155.37 145.58 21.79 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.754 2.022 . . . . 0.0 108.006 169.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.29 47.59 0.57 Allowed 'General case' 0 N--CA 1.478 0.955 0 O-C-N 121.135 -0.978 . . . . 0.0 112.211 161.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.253 1.266 0 C-N-CA 130.857 3.663 . . . . 0.0 111.805 -168.264 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tpt . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.773 -0.084 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.16 155.65 24.61 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.982 1.313 . . . . 0.0 112.659 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -84.43 45.55 1.14 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.909 2.084 . . . . 0.0 112.612 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.9 mt -81.74 113.85 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 125.977 1.711 . . . . 0.0 110.391 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -85.76 162.0 18.91 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.928 1.291 . . . . 0.0 111.55 169.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -121.91 121.8 37.94 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.24 1.816 . . . . 0.0 110.103 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -122.12 149.17 43.96 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.768 1.227 . . . . 0.0 111.198 -177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -129.33 146.31 51.23 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.443 1.097 . . . . 0.0 109.875 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -138.94 141.79 38.45 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.761 1.624 . . . . 0.0 110.283 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -106.13 116.85 32.64 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.74 2.016 . . . . 0.0 108.357 171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.5 t -140.57 139.85 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.4 1.08 . . . . 0.0 109.765 -161.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.57 113.83 3.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 122.961 0.504 . . . . 0.0 109.791 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 43.5 tpp -125.69 104.58 8.45 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.409 1.084 . . . . 0.0 110.002 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.8 p -81.85 -21.85 37.3 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.132 1.53 . . . . 0.0 115.132 -164.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.6 p -160.21 167.96 26.46 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 125.601 1.56 . . . . 0.0 112.598 174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.0 m -67.99 -15.94 63.83 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.838 -1.164 . . . . 0.0 112.896 173.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.72 -38.15 37.74 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 124.476 1.036 . . . . 0.0 111.735 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 t -60.0 -45.6 92.21 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.671 1.188 . . . . 0.0 110.84 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.7 m -55.29 -45.96 76.2 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 122.968 0.507 . . . . 0.0 112.122 171.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.73 -40.17 98.87 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 123.296 0.474 . . . . 0.0 112.706 178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.23 68.93 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.694 1.197 . . . . 0.0 112.01 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.71 -43.35 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 O-C-N 121.478 -0.764 . . . . 0.0 110.931 178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -60.08 -35.74 75.85 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.334 -0.853 . . . . 0.0 112.272 172.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -62.93 -46.2 88.92 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 118.103 -0.951 . . . . 0.0 111.783 172.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 65.6 t -52.14 -50.54 35.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 CA-C-N 119.429 1.013 . . . . 0.0 111.283 177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.32 -22.49 57.62 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.8 m -68.41 -26.17 65.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.026 1.284 . . . . 0.0 111.84 174.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -56.81 -15.73 5.26 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.451 -1.406 . . . . 0.0 113.456 165.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.0 mt -107.91 9.47 28.7 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.8 1.64 . . . . 0.0 113.551 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -50.08 -29.97 2.84 Favored Pre-proline 0 N--CA 1.48 1.047 0 CA-C-N 121.834 2.106 . . . . 0.0 115.835 175.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -58.47 -18.4 38.96 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 CA-C-N 121.354 1.519 . . . . 0.0 114.607 172.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -128.65 -19.21 3.77 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.503 1.921 . . . . 0.0 113.79 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -102.95 134.27 44.47 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 127.583 2.353 . . . . 0.0 109.591 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -91.15 -46.52 8.05 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.637 0.775 . . . . 0.0 112.667 -175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -156.34 136.09 12.54 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.41 1.084 . . . . 0.0 112.269 -178.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.9 mp -114.59 132.69 62.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.199 1.4 . . . . 0.0 110.042 169.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -139.85 116.77 11.0 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.127 0.971 . . . . 0.0 111.481 -176.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.3 mt -102.52 142.33 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 125.729 1.612 . . . . 0.0 110.332 -173.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.0 m -127.06 97.41 4.93 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.347 1.859 . . . . 0.0 109.466 171.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -68.0 -48.95 64.35 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.939 1.088 . . . . 0.0 113.939 -166.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -58.56 -43.44 89.35 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 120.134 1.334 . . . . 0.0 111.002 -177.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -82.59 0.76 41.39 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.441 1.896 . . . . 0.0 113.445 177.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 52.55 38.21 25.14 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 128.363 2.665 . . . . 0.0 114.781 174.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.278 3.7 pp -125.01 157.2 36.74 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 -176.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.78 130.5 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 C-N-CA 126.53 1.932 . . . . 0.0 108.559 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -107.83 137.53 45.68 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.018 1.727 . . . . 0.0 109.752 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -134.55 147.48 29.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.846 1.259 . . . . 0.0 110.953 -176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -127.47 130.48 49.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.873 1.669 . . . . 0.0 110.496 166.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -167.54 154.79 8.55 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.75 1.159 . . . . 0.0 113.374 -174.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 59.2 p -80.27 -12.41 59.62 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.869 1.268 . . . . 0.0 112.894 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.0 mt -69.33 152.36 96.54 Favored Pre-proline 0 CA--C 1.546 0.823 0 C-N-CA 124.964 1.306 . . . . 0.0 112.819 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -71.44 151.58 59.56 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.448 2.766 . . . . 0.0 111.981 176.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -66.37 -42.89 87.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.84 1.256 . . . . 0.0 113.411 -171.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -64.83 -23.19 67.16 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.799 1.24 . . . . 0.0 112.763 178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 83.0 t80 -75.88 -37.88 58.43 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.231 -0.918 . . . . 0.0 111.673 173.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 51.7 mm -71.12 -39.61 74.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 123.954 0.902 . . . . 0.0 111.939 178.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 78.1 mt -53.02 -47.21 68.52 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 118.517 0.599 . . . . 0.0 111.053 173.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -69.28 -31.9 70.71 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -61.7 -46.28 90.36 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 120.155 1.343 . . . . 0.0 111.275 170.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.15 -52.04 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.19 0.996 . . . . 0.0 110.462 175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -53.9 -37.32 63.65 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.205 1.002 . . . . 0.0 112.42 177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tmtp? -63.33 -23.38 67.39 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 33.7 p -73.08 -18.43 61.31 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -174.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.73 2.81 88.54 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.357 0.98 . . . . 0.0 114.76 -173.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.451 ' HE3' HG21 ' B' ' 19' ' ' THR . 5.9 mptt -94.87 127.79 41.16 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.315 1.446 . . . . 0.0 109.178 174.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -77.14 136.12 38.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.809 0.731 . . . . 0.0 112.623 -172.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.4 p -88.66 144.64 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.325 1.05 . . . . 0.0 111.347 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -110.44 -50.78 2.93 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 112.263 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.7 m -155.15 171.32 19.98 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.655 1.982 . . . . 0.0 110.345 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -179.92 171.09 42.52 Favored Glycine 0 N--CA 1.474 1.173 0 C-N-CA 124.57 1.081 . . . . 0.0 114.284 172.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -163.64 164.63 23.96 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -178.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -99.08 145.97 26.58 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.746 1.619 . . . . 0.0 111.055 162.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.127 1.371 . . . . 0.0 112.998 -170.169 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 111.492 0.182 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -161.69 126.36 3.41 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.252 1.821 . . . . 0.0 111.416 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -70.31 153.33 43.15 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.391 2.276 . . . . 0.0 111.655 166.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 p -165.71 138.22 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.538 1.135 . . . . 0.0 111.827 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 16.5 mm -119.08 128.18 75.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 -177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -134.41 145.25 48.74 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 118.911 0.778 . . . . 0.0 112.059 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -91.91 137.68 32.16 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.36 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.2 112.17 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.137 1.775 . . . . 0.0 108.409 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -83.18 -0.46 49.4 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 -164.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -126.72 23.71 5.6 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 126.339 1.924 . . . . 0.0 115.734 -165.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mmt -52.79 134.87 36.49 Favored 'General case' 0 C--O 1.242 0.686 0 CA-C-N 120.105 1.952 . . . . 0.0 113.885 -174.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 22.1 p -110.47 -152.19 0.49 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 127.256 2.222 . . . . 0.0 110.379 177.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 27.7 p -89.57 -35.77 15.71 Favored 'General case' 0 CA--C 1.56 1.334 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -160.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 10.3 t -169.55 -121.12 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.223 1.009 . . . . 0.0 112.364 -168.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -19.49 62.98 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.416 1.486 . . . . 0.0 114.941 -173.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 3.8 p -50.25 -45.98 54.59 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.72 1.208 . . . . 0.0 111.691 164.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 31.0 p -71.55 -39.99 70.3 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 124.347 1.059 . . . . 0.0 112.968 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -65.35 -9.55 25.68 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 117.144 -1.408 . . . . 0.0 113.325 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.451 HG21 ' HE3' ' A' ' 65' ' ' LYS . 60.3 p -51.67 -35.83 44.05 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.504 1.502 . . . . 0.0 112.438 165.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.01 -57.7 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.5 1.12 . . . . 0.0 110.898 167.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -62.23 -48.13 81.35 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.77 0.714 . . . . 0.0 112.326 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -50.47 -44.65 55.8 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.631 1.172 . . . . 0.0 112.599 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -77.28 -45.52 26.04 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.442 177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 66.9 mt -66.53 -44.53 82.18 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.08 1.309 . . . . 0.0 112.969 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -57.69 -29.55 64.77 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.949 0.899 . . . . 0.0 111.981 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.0 -5.65 54.42 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 80.9 mt -85.16 129.86 34.72 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 120.201 1.364 . . . . 0.0 112.845 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 52.3 mtpt -51.21 126.61 17.16 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.975 0.91 . . . . 0.0 110.113 166.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.39 -32.55 6.61 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 126.252 1.882 . . . . 0.0 114.388 -174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -79.74 114.56 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 119.649 1.725 . . . . 0.0 109.541 -178.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 14.3 t -96.9 -36.87 10.43 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.51 0.724 . . . . 0.0 111.998 -175.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -143.12 154.7 44.18 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.687 1.595 . . . . 0.0 110.822 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 39.6 t -160.72 114.31 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.688 1.595 . . . . 0.0 110.002 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -118.64 166.05 13.22 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.052 1.741 . . . . 0.0 111.465 171.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 16.8 tt -156.99 128.49 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.93 2.092 . . . . 0.0 111.453 -170.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 50.7 m -122.81 111.06 16.23 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.087 0.955 . . . . 0.0 111.637 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.0 mt -61.54 -34.35 75.4 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -175.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.97 -50.14 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 119.15 0.886 . . . . 0.0 111.473 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 58.1 p -78.45 -17.64 56.05 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.1 m120 79.32 17.87 0.82 Allowed 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.812 2.445 . . . . 0.0 113.026 173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -98.73 147.99 24.31 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.268 1.027 . . . . 0.0 112.837 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 73.8 m -108.7 140.66 41.79 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.117 1.367 . . . . 0.0 109.722 161.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -122.78 96.79 5.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -173.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 13.7 t -125.47 136.61 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.031 1.332 . . . . 0.0 110.384 -164.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.7 m -129.04 117.48 20.96 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -166.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -128.4 -157.2 0.8 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.745 0.783 . . . . 0.0 112.294 -165.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -178.73 163.23 1.43 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.051 2.94 . . . . 0.0 112.51 -170.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -59.84 -6.67 1.33 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -166.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.25 -13.46 62.0 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.371 1.068 . . . . 0.0 112.79 165.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 8.3 p -151.86 171.86 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.216 2.206 . . . . 0.0 110.797 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 70.7 p -130.31 159.4 37.05 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.682 1.593 . . . . 0.0 112.359 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.14 -16.49 64.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -67.95 -38.24 82.57 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.834 1.254 . . . . 0.0 111.447 170.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.4 m -67.01 -44.02 81.39 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 118.965 -0.54 . . . . 0.0 111.004 170.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 79.9 mt -56.44 -46.63 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 119.672 1.124 . . . . 0.0 110.486 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -52.7 -45.02 66.7 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 169.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -77.09 -18.78 57.76 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.27 1.828 . . . . 0.0 111.754 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 8.1 mm -80.46 -46.31 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.09 1.356 . . . . 0.0 110.4 173.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 13.6 mt -60.24 -34.83 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 CA-C-N 118.291 0.496 . . . . 0.0 110.329 171.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -76.52 -36.78 57.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 118.333 -0.841 . . . . 0.0 113.047 174.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -70.19 -20.39 63.12 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.486 1.494 . . . . 0.0 113.763 171.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.7 m -70.15 -16.28 63.07 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.191 -0.943 . . . . 0.0 112.657 166.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 101.0 20.07 15.17 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 125.731 1.634 . . . . 0.0 115.078 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -108.4 -155.95 0.57 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.63 1.172 . . . . 0.0 110.404 174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -160.17 142.94 13.47 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.641 1.577 . . . . 0.0 108.706 -171.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.45 165.28 21.58 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -161.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -155.73 140.29 16.9 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 127.042 2.137 . . . . 0.0 108.585 175.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.74 125.23 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.499 0.72 . . . . 0.0 111.154 176.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -99.29 -50.3 4.17 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.456 1.902 . . . . 0.0 110.226 -165.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -151.62 141.38 21.87 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 125.73 1.612 . . . . 0.0 110.49 -177.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -78.35 55.92 1.64 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.111 1.765 . . . . 0.0 110.202 160.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.251 1.162 0 C-N-CA 129.465 3.106 . . . . 0.0 112.886 -175.348 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.08 160.66 39.12 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.519 1.527 . . . . 0.0 111.005 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -86.94 58.05 4.85 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 122.927 1.346 . . . . 0.0 111.916 -175.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -72.25 128.24 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 C-N-CA 126.587 1.955 . . . . 0.0 110.533 -177.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -103.64 159.74 15.35 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.587 1.155 . . . . 0.0 111.077 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -115.77 133.83 55.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.686 0.794 . . . . 0.0 112.338 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -128.95 146.55 50.93 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.548 1.539 . . . . 0.0 111.074 177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -132.68 129.13 38.38 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.904 0.882 . . . . 0.0 110.082 173.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -123.53 141.8 51.65 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.981 1.312 . . . . 0.0 111.051 -177.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -102.12 125.16 48.74 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 108.176 163.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.4 t -140.67 139.39 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.393 1.077 . . . . 0.0 109.962 -163.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.9 t -68.75 118.18 12.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 122.97 0.508 . . . . 0.0 109.873 178.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 77.1 mtm -140.22 109.17 6.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.819 0.848 . . . . 0.0 110.875 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 m -70.0 -43.96 70.36 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.083 0.953 . . . . 0.0 112.375 -176.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 14.4 p -142.2 176.59 8.85 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 -172.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -70.37 -12.0 61.29 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.207 1.403 . . . . 0.0 112.902 174.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.07 -38.16 16.33 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 125.45 1.5 . . . . 0.0 111.452 166.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.5 m -63.68 -52.77 59.18 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.427 1.114 . . . . 0.0 111.371 171.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.9 p -65.97 -19.36 65.83 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.085 -1.009 . . . . 0.0 112.847 173.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.36 -36.45 44.65 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.299 0.952 . . . . 0.0 112.438 172.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.79 -47.49 71.94 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.885 0.874 . . . . 0.0 111.34 170.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.4 t -53.99 -49.08 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.261 0.624 . . . . 0.0 110.708 173.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -52.43 -52.32 54.57 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 118.763 0.71 . . . . 0.0 111.609 171.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -68.64 -25.7 64.96 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 80.9 t -65.66 -45.76 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 119.505 1.048 . . . . 0.0 110.902 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.75 -35.1 62.6 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.3 p -64.77 -27.92 69.22 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 121.005 1.73 . . . . 0.0 113.49 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -62.93 -12.25 24.11 Favored 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.551 -1.343 . . . . 0.0 112.974 170.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.7 mt -106.31 18.52 21.87 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.605 1.962 . . . . 0.0 112.998 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -46.16 -33.42 2.32 Favored Pre-proline 0 N--CA 1.48 1.066 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 170.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -63.63 -16.07 52.51 Favored 'Trans proline' 0 C--N 1.354 0.844 0 CA-C-N 121.735 1.655 . . . . 0.0 114.206 176.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -126.72 -35.92 2.28 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.894 1.678 . . . . 0.0 114.128 -174.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 63.1 t -93.57 120.78 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 126.185 1.794 . . . . 0.0 108.59 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.47 -20.86 14.94 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -165.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -159.58 135.55 8.73 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.546 1.539 . . . . 0.0 111.015 173.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 pt -131.2 153.31 38.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.607 1.563 . . . . 0.0 110.448 166.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -147.26 114.99 6.42 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.214 1.006 . . . . 0.0 110.53 169.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.1 mt -99.21 137.61 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.285 1.434 . . . . 0.0 110.534 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.1 m -129.93 92.32 3.29 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.399 1.48 . . . . 0.0 111.818 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.6 tp -54.96 -58.98 5.41 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -172.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -60.39 -35.95 76.95 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 119.748 1.158 . . . . 0.0 112.367 -170.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -91.15 5.46 48.94 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.802 1.241 . . . . 0.0 114.32 174.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 59.88 25.81 14.97 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.2 2.6 . . . . 0.0 115.387 173.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -107.96 153.68 22.72 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.787 1.235 . . . . 0.0 113.781 -172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.5 t -136.25 133.88 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 126.861 2.064 . . . . 0.0 109.118 172.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -113.66 132.62 55.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.02 1.728 . . . . 0.0 109.704 172.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 t -134.86 138.11 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 124.484 1.114 . . . . 0.0 111.981 -172.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -127.03 120.45 29.03 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.964 1.706 . . . . 0.0 111.792 171.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.9 t -163.96 160.28 21.75 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.3 p -87.86 -3.08 58.96 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 128.631 2.772 . . . . 0.0 113.618 168.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.5 mt -79.16 153.06 77.02 Favored Pre-proline 0 N--CA 1.473 0.686 0 C-N-CA 124.363 1.065 . . . . 0.0 112.291 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.23 140.97 94.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 123.015 2.477 . . . . 0.0 113.167 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -50.9 -44.38 59.97 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.551 1.141 . . . . 0.0 111.718 170.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -67.34 -34.1 76.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.32 1.048 . . . . 0.0 113.778 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -69.0 -38.76 79.47 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.828 1.251 . . . . 0.0 111.04 172.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -66.44 -39.62 84.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-O 118.363 -0.827 . . . . 0.0 111.396 174.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -56.46 -48.44 77.07 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.564 1.075 . . . . 0.0 111.548 172.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.62 -44.66 95.72 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.435 0.694 . . . . 0.0 112.576 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.5 mmtt -60.9 -37.51 82.48 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.992 1.269 . . . . 0.0 112.871 174.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 97.7 mt -67.85 -52.15 42.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 CA-C-N 119.257 0.935 . . . . 0.0 110.592 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.49 -31.44 71.42 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.958 -1.089 . . . . 0.0 112.966 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -60.68 -15.42 28.63 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.017 1.327 . . . . 0.0 114.523 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.5 p -63.99 -17.67 63.53 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-N 120.123 1.329 . . . . 0.0 113.945 169.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 91.84 -12.61 68.99 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.25 0.928 . . . . 0.0 114.377 -175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -83.94 174.68 10.15 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.859 1.264 . . . . 0.0 111.741 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.41 149.63 26.84 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.012 1.325 . . . . 0.0 112.403 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.1 t -107.71 122.81 62.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.671 1.988 . . . . 0.0 108.775 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 40.4 mtp-105 -89.26 -34.53 16.58 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.51 1.524 . . . . 0.0 111.833 -175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 92.1 p -160.38 159.4 31.05 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.33 1.052 . . . . 0.0 112.789 166.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -136.97 154.26 22.15 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 125.33 1.443 . . . . 0.0 112.001 166.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -155.56 152.79 29.24 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 173.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -104.59 120.9 42.37 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.262 2.225 . . . . 0.0 108.871 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 35.5 mt . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.324 1.45 . . . . 0.0 113.025 -170.173 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.028 0.442 . . . . 0.0 111.99 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 8.5 ptm85 -160.68 -147.15 0.14 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.616 2.766 . . . . 0.0 109.21 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -156.44 161.68 40.06 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 127.044 2.138 . . . . 0.0 110.869 -174.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.6 p -153.16 141.85 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 124.919 1.288 . . . . 0.0 109.494 175.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.33 136.12 60.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.592 1.157 . . . . 0.0 107.936 177.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 pp -138.28 149.44 45.7 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.191 0.996 . . . . 0.0 111.894 -169.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.91 147.37 35.07 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.889 0.476 . . . . 0.0 110.303 166.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -152.01 108.18 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.016 1.326 . . . . 0.0 110.258 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -86.45 -23.91 25.84 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -163.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.78 -5.61 89.24 Favored Glycine 0 N--CA 1.478 1.477 0 N-CA-C 115.882 1.113 . . . . 0.0 115.882 -167.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 13.6 ptp -81.31 147.48 29.87 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.431 1.092 . . . . 0.0 112.389 179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 p -141.72 -30.0 0.6 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 3.6 p -157.7 168.02 28.42 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-O 122.282 1.039 . . . . 0.0 112.93 -161.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 88.4 p -71.85 22.6 0.05 Allowed 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 116.802 2.149 . . . . 0.0 116.802 -167.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -129.06 -44.75 1.28 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 120.821 -1.174 . . . . 0.0 113.016 172.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.2 p -63.06 -32.91 74.39 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 27.4 p -58.53 -53.74 54.92 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 125.824 1.65 . . . . 0.0 112.599 173.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -62.86 -26.02 68.57 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 119.261 0.937 . . . . 0.0 111.624 -168.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.02 -36.49 7.94 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.273 1.429 . . . . 0.0 111.611 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.81 -50.12 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 119.097 -0.477 . . . . 0.0 110.083 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -61.92 -51.16 69.27 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 119.023 0.829 . . . . 0.0 111.456 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.8 m -48.96 -44.9 41.25 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.978 1.311 . . . . 0.0 112.713 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -90.65 -41.42 11.33 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 -177.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 53.5 mt -74.63 -37.5 62.79 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.138 1.335 . . . . 0.0 111.876 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -57.48 -23.97 53.11 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.671 1.123 . . . . 0.0 113.078 171.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.73 -4.47 59.18 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.164 1.386 . . . . 0.0 114.273 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -73.01 119.0 16.65 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.633 1.106 . . . . 0.0 109.614 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.12 111.63 1.59 Allowed 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.67 -0.644 . . . . 0.0 109.489 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 112.42 -4.88 26.54 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.308 1.908 . . . . 0.0 115.268 -170.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 70.9 t -107.84 135.73 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.481 1.641 . . . . 0.0 109.17 168.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -102.93 -38.62 7.29 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.055 0.942 . . . . 0.0 112.97 -176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -158.84 153.27 24.18 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.706 1.202 . . . . 0.0 112.486 -175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 57.0 m -136.82 117.46 13.92 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.717 1.607 . . . . 0.0 111.819 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -103.58 163.94 11.98 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 126.025 1.73 . . . . 0.0 110.844 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 21.8 mt -143.27 152.69 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 126.444 1.898 . . . . 0.0 109.352 -165.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.1 t -144.71 118.57 9.3 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.636 -1.29 . . . . 0.0 109.89 154.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 26.4 tp -84.88 -29.69 25.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.697 1.999 . . . . 0.0 110.905 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.7 t -58.27 -26.11 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 124.158 0.983 . . . . 0.0 112.739 172.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 18.4 p -124.4 6.65 8.35 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.275 1.43 . . . . 0.0 114.151 176.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 17.9 m120 64.73 44.58 3.72 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.761 1.624 . . . . 0.0 113.674 169.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -133.4 159.82 39.21 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.07 1.348 . . . . 0.0 113.518 -170.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 58.9 m -140.07 146.76 39.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.004 1.322 . . . . 0.0 112.36 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -121.16 102.47 8.33 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.081 1.752 . . . . 0.0 108.991 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 54.5 t -100.15 135.85 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.689 1.596 . . . . 0.0 109.953 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.0 m -120.76 118.92 31.27 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 126.677 1.991 . . . . 0.0 106.763 -171.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -154.6 -174.29 4.91 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.456 1.598 . . . . 0.0 110.997 -158.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -148.13 166.6 27.36 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 127.514 2.326 . . . . 0.0 113.153 -166.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -55.67 -21.62 19.12 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.635 1.574 . . . . 0.0 115.098 -162.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.6 -16.28 63.56 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.326 1.85 . . . . 0.0 114.448 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 95.4 t -124.37 149.41 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.727 1.611 . . . . 0.0 109.314 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 67.9 m -120.9 139.64 52.93 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.379 1.872 . . . . 0.0 108.922 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.07 -28.1 69.37 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -63.39 -21.06 66.06 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.799 1.64 . . . . 0.0 113.815 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 18.6 m -80.46 -41.33 24.59 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.935 0.894 . . . . 0.0 110.882 168.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.4 -40.4 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 O-C-N 121.47 -0.769 . . . . 0.0 109.968 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -64.72 4.14 0.44 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.765 1.626 . . . . 0.0 114.97 174.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -122.1 -46.12 2.21 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.672 1.589 . . . . 0.0 109.181 169.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.13 -42.88 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 124.211 1.004 . . . . 0.0 112.204 174.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 tt -75.18 -18.05 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 CA-C-N 118.51 0.596 . . . . 0.0 112.164 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -78.75 -36.75 42.7 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 118.035 0.379 . . . . 0.0 110.335 167.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -70.63 -5.08 26.78 Favored 'General case' 0 CA--C 1.549 0.923 0 O-C-N 121.125 -0.984 . . . . 0.0 113.096 166.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 72.5 m -91.53 -9.35 44.64 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.634 1.174 . . . . 0.0 112.979 162.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.63 29.61 10.67 Favored Glycine 0 CA--C 1.53 0.987 0 C-N-CA 124.823 1.202 . . . . 0.0 115.301 178.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -118.9 -164.35 1.03 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.198 1.499 . . . . 0.0 111.02 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -164.17 140.38 6.37 Favored 'General case' 0 C--N 1.331 -0.208 0 C-N-CA 128.74 2.816 . . . . 0.0 107.341 -172.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 30.2 p -167.73 169.74 11.47 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -149.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -158.9 144.22 16.23 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.071 1.748 . . . . 0.0 108.772 169.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mm -74.81 108.26 6.24 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 C-N-CA 124.294 1.038 . . . . 0.0 108.219 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -79.51 -50.97 9.94 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -167.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 50.5 mtt180 -156.66 147.77 22.09 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.179 1.791 . . . . 0.0 111.634 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -73.29 61.39 0.64 Allowed 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 127.764 2.426 . . . . 0.0 110.281 160.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 C--O 1.253 1.257 0 C-N-CA 124.588 1.155 . . . . 0.0 114.099 -174.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.484 1.269 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.75 163.05 24.92 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 -167.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -86.25 60.32 6.16 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 123.135 1.445 . . . . 0.0 110.999 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.19 129.21 26.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.938 1.695 . . . . 0.0 110.412 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -110.84 158.57 18.55 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.697 1.199 . . . . 0.0 111.515 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.28 118.21 33.29 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.506 1.122 . . . . 0.0 111.092 -177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -112.93 144.72 42.02 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 124.559 1.144 . . . . 0.0 110.444 173.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -131.61 138.29 48.74 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 123.535 0.734 . . . . 0.0 109.489 171.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -129.58 135.1 48.15 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.776 1.231 . . . . 0.0 109.897 177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -84.97 122.56 29.39 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 108.426 -0.954 . . . . 0.0 108.426 157.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 38.6 t -127.58 137.46 57.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.878 1.271 . . . . 0.0 109.615 -170.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 63.3 t -69.09 104.86 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.892 1.277 . . . . 0.0 109.31 176.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 75.6 mtm -141.36 138.21 32.89 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.986 0.915 . . . . 0.0 111.341 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.3 p -122.32 4.28 9.72 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -173.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 t -149.63 151.79 34.35 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.124 1.37 . . . . 0.0 112.779 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 m -62.44 -12.29 20.96 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.344 1.057 . . . . 0.0 112.936 165.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.39 -27.54 63.44 Favored Glycine 0 C--N 1.343 0.948 0 C-N-CA 123.987 0.803 . . . . 0.0 112.784 170.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 63.1 m -71.2 -49.44 43.54 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.816 1.308 . . . . 0.0 110.584 173.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 p -64.83 -32.13 73.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.365 -0.834 . . . . 0.0 112.348 173.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.28 95.23 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 121.241 -0.912 . . . . 0.0 112.587 170.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.03 80.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.544 1.137 . . . . 0.0 111.952 172.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.9 t -55.77 -49.82 72.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.519 0.727 . . . . 0.0 110.913 173.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.0 -38.0 78.17 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 118.735 0.698 . . . . 0.0 111.593 175.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -66.46 -51.14 60.01 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 0.0 113.12 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 83.4 t -60.41 -37.74 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 CA-C-N 119.617 1.098 . . . . 0.0 111.453 178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.5 mt -77.5 -22.63 50.93 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -69.35 -13.31 62.31 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.645 1.178 . . . . 0.0 113.146 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -79.86 -8.39 59.27 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.668 1.187 . . . . 0.0 113.75 167.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 75.8 mt -123.28 18.12 9.85 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.499 1.919 . . . . 0.0 113.154 -170.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -59.04 -28.2 4.37 Favored Pre-proline 0 CA--C 1.538 0.516 0 CA-C-O 116.743 -1.598 . . . . 0.0 115.192 -177.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -62.25 -22.5 74.24 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 CA-C-N 122.039 1.764 . . . . 0.0 113.424 174.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -108.2 -34.24 6.9 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.747 1.219 . . . . 0.0 113.503 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.84 119.82 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 125.38 1.472 . . . . 0.0 109.944 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.6 p -86.4 -28.24 23.69 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -155.06 140.84 18.12 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.638 1.175 . . . . 0.0 113.572 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 mt -119.32 139.09 47.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 127.387 2.275 . . . . 0.0 107.824 167.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -155.11 140.13 17.37 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.36 1.064 . . . . 0.0 109.735 167.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.8 mt -129.81 139.13 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.794 0.838 . . . . 0.0 110.941 -172.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.8 m -125.36 74.52 1.39 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.323 1.849 . . . . 0.0 110.589 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.1 tp -51.25 -36.68 43.18 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.887 2.075 . . . . 0.0 113.95 -177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.0 -21.98 65.02 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.319 1.048 . . . . 0.0 113.609 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -116.76 22.72 12.47 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.73 2.012 . . . . 0.0 112.565 164.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 55.52 14.07 1.11 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 128.778 2.831 . . . . 0.0 117.071 170.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.31 3.8 pp -104.88 151.94 23.24 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 -173.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.3 t -119.92 130.05 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 127.214 2.205 . . . . 0.0 108.496 173.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.91 122.1 43.38 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.024 1.73 . . . . 0.0 110.201 171.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.4 t -118.66 139.79 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.443 1.097 . . . . 0.0 109.963 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -124.57 121.83 35.87 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.886 1.274 . . . . 0.0 110.163 166.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 15.3 t -167.2 160.48 13.77 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -171.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 70.5 p -86.97 -5.01 59.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 127.953 2.501 . . . . 0.0 113.805 168.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.33 155.6 93.18 Favored Pre-proline 0 CA--C 1.546 0.816 0 C-N-CA 124.952 1.301 . . . . 0.0 111.966 178.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -67.94 150.04 77.92 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.724 2.95 . . . . 0.0 112.614 171.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.26 -44.77 88.52 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.558 0.743 . . . . 0.0 112.031 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -61.73 -30.9 71.07 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.725 1.21 . . . . 0.0 113.401 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -68.74 -37.57 79.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.438 0.695 . . . . 0.0 111.519 174.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.9 mm -69.01 -37.24 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 O-C-N 121.369 -0.832 . . . . 0.0 111.308 176.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.1 mt -55.76 -43.05 76.35 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.058 0.844 . . . . 0.0 111.751 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -70.98 -41.51 70.91 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.871 1.268 . . . . 0.0 112.933 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -64.07 -36.13 83.02 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.321 -1.487 . . . . 0.0 112.28 173.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -45.67 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 CA-C-N 119.349 0.977 . . . . 0.0 110.849 171.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -56.92 -44.52 82.52 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.55 0.74 . . . . 0.0 111.868 174.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -64.85 -37.99 89.49 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.3 m -61.29 -33.93 74.38 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.313 1.445 . . . . 0.0 110.515 171.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.7 12.7 27.64 Favored Glycine 0 N--CA 1.466 0.649 0 C-N-CA 124.795 1.188 . . . . 0.0 114.731 167.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -108.19 152.09 25.05 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.817 1.308 . . . . 0.0 112.084 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -90.69 139.13 31.01 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.342 -0.849 . . . . 0.0 111.862 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.8 t -81.55 132.73 30.82 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 109.26 167.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -80.18 -58.69 3.03 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.16 0.584 . . . . 0.0 110.113 167.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 74.1 p -161.2 147.45 14.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.849 1.26 . . . . 0.0 111.69 165.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -144.06 170.93 25.75 Favored Glycine 0 N--CA 1.468 0.804 0 C-N-CA 125.326 1.441 . . . . 0.0 112.924 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -168.52 160.79 11.26 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.746 1.219 . . . . 0.0 113.444 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -81.45 142.25 33.13 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 126.093 1.757 . . . . 0.0 110.525 167.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.015 1.726 . . . . 0.0 112.806 -176.063 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 121.269 0.556 . . . . 0.0 112.226 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -112.2 122.92 49.1 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 129.809 3.244 . . . . 0.0 106.509 -176.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.43 139.13 57.85 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 125.288 1.435 . . . . 0.0 110.572 166.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.1 p -126.81 139.91 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.807 1.243 . . . . 0.0 107.747 155.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -115.9 130.47 70.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 171.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.36 145.47 39.05 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.781 0.832 . . . . 0.0 111.374 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.86 141.81 44.19 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 118.872 -0.585 . . . . 0.0 109.772 169.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 57.1 t -132.24 102.03 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 173.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -76.64 -21.74 55.06 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 -157.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 1.49 70.71 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 125.095 1.331 . . . . 0.0 116.188 -172.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 7.3 ptm -80.02 176.17 9.98 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 119.154 1.477 . . . . 0.0 112.15 171.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 15.0 t -160.95 -37.55 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.59 1.156 . . . . 0.0 112.424 163.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.0 p -121.06 -178.15 3.68 Favored 'General case' 0 CA--C 1.553 1.09 0 CA-C-O 123.002 1.382 . . . . 0.0 114.073 -173.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 46.7 m -77.95 6.12 8.4 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.221 1.408 . . . . 0.0 114.233 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.73 -50.72 3.22 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.637 1.108 . . . . 0.0 112.746 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 13.5 p -66.08 -31.63 72.62 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.797 1.18 . . . . 0.0 113.212 179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 1.2 p -62.55 -42.81 99.77 Favored 'General case' 0 CA--C 1.513 -0.457 0 C-N-CA 127.782 2.433 . . . . 0.0 114.059 -174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -13.22 62.15 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 120.343 1.428 . . . . 0.0 113.427 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 9.3 m -47.69 -45.15 28.15 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.689 1.595 . . . . 0.0 110.632 162.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.89 -57.52 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 C-N-CA 124.724 1.209 . . . . 0.0 109.451 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -53.99 -47.81 71.04 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.392 0.996 . . . . 0.0 113.283 178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 5.8 m -48.61 -49.37 37.28 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.896 1.278 . . . . 0.0 112.091 171.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.35 -41.99 19.31 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -72.06 -43.89 64.19 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.872 1.269 . . . . 0.0 111.446 -175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -56.09 -30.98 62.82 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 119.827 1.194 . . . . 0.0 113.22 172.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.37 -2.32 31.22 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -175.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.89 17.59 0.31 Allowed 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 -173.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . 0.269 19.0 ptpt 43.67 45.14 5.76 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 126.715 2.006 . . . . 0.0 114.623 176.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.91 11.09 0.03 OUTLIER Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.797 1.665 . . . . 0.0 116.565 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 53.3 t -107.71 130.88 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.027 1.731 . . . . 0.0 108.662 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 69.2 p -101.77 -19.49 15.33 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.79 120.96 2.06 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.692 1.197 . . . . 0.0 110.859 -174.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 81.3 m -112.54 131.16 55.74 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.082 1.353 . . . . 0.0 112.276 168.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -148.17 168.94 21.15 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.407 1.483 . . . . 0.0 110.35 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 53.5 mt -147.18 135.82 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 125.393 1.477 . . . . 0.0 110.102 -172.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.4 m -94.44 108.91 20.82 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.449 -0.782 . . . . 0.0 109.674 165.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 74.9 mt -76.27 -39.75 53.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -162.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.14 -41.5 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 123.8 0.84 . . . . 0.0 110.943 176.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.04 -5.7 57.7 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.394 1.478 . . . . 0.0 114.246 -177.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 5.6 m120 68.3 36.39 3.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.142 1.777 . . . . 0.0 113.46 166.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -134.98 137.48 43.08 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.674 1.19 . . . . 0.0 111.578 -168.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 79.2 m -102.9 139.46 38.45 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.976 1.31 . . . . 0.0 111.294 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -112.14 96.57 6.11 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.104 2.162 . . . . 0.0 106.658 179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.4 t -124.55 129.84 73.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 123.959 0.904 . . . . 0.0 111.434 -175.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 24.0 m -120.3 133.48 55.45 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.424 1.49 . . . . 0.0 109.421 -172.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -150.65 134.09 16.37 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 123.311 1.529 . . . . 0.0 110.349 -160.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -70.71 159.71 33.98 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.597 165.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -6.5 4.98 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 125.292 1.437 . . . . 0.0 114.348 -172.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -55.52 -29.79 59.51 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.381 1.872 . . . . 0.0 112.389 163.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 93.2 t -115.64 159.9 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 126.966 2.107 . . . . 0.0 108.363 174.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 22.9 p -132.49 150.51 52.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.033 1.333 . . . . 0.0 110.884 173.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.55 -33.13 69.57 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.139 0.576 . . . . 0.0 111.743 175.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.75 -23.54 64.34 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 173.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -75.49 -42.76 52.07 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.714 -0.616 . . . . 0.0 110.771 168.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 94.5 mt -56.06 -43.37 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.787 -0.571 . . . . 0.0 109.7 175.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -61.91 -0.74 0.52 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 127.373 2.269 . . . . 0.0 115.093 176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 83.7 mt-10 -119.47 -46.15 2.49 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.625 1.97 . . . . 0.0 109.302 174.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -55.02 -45.04 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.86 1.664 . . . . 0.0 112.406 173.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 9.6 tp -67.63 -23.43 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.161 0.984 . . . . 0.0 111.977 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -84.61 -28.73 26.31 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 119.36 -0.352 . . . . 0.0 111.203 172.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.47 -20.55 59.97 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 167.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 77.9 m -74.87 -11.82 60.22 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.84 1.256 . . . . 0.0 113.082 163.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 85.7 29.68 25.96 Favored Glycine 0 CA--C 1.527 0.839 0 CA-C-O 118.414 -1.215 . . . . 0.0 115.547 178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -116.52 -161.28 0.79 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.538 1.669 . . . . 0.0 110.651 173.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -155.44 144.76 20.99 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 127.283 2.233 . . . . 0.0 108.471 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 21.4 p -148.07 167.9 23.76 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -167.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -144.56 131.91 20.79 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.515 1.926 . . . . 0.0 106.405 163.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mm -72.0 108.15 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.7 tp -82.73 -45.89 13.85 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -161.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -164.13 144.05 7.98 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.808 1.643 . . . . 0.0 111.896 177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.29 30.89 0.1 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.306 2.242 . . . . 0.0 112.677 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.488 1.425 0 C-N-CA 126.23 1.812 . . . . 0.0 114.446 -171.9 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mpp? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 110.739 -0.097 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.71 -25.11 33.26 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -90.3 166.79 13.12 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.751 0.82 . . . . 0.0 112.093 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.258 61.1 mt 45.27 95.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 129.513 3.125 . . . . 0.0 114.954 178.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -82.93 154.22 24.67 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.577 163.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -106.4 127.61 53.41 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.382 1.073 . . . . 0.0 109.729 172.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -122.66 147.73 46.1 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.986 1.314 . . . . 0.0 109.996 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -142.98 137.9 29.68 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.478 0.711 . . . . 0.0 109.737 -178.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -136.34 138.71 41.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 125.305 1.442 . . . . 0.0 110.531 -172.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -97.87 112.0 24.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.256 1.023 . . . . 0.0 108.798 168.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.4 t -122.41 135.94 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.535 1.534 . . . . 0.0 108.705 -163.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -71.85 112.72 7.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 76.6 mtm -134.72 78.73 1.76 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.68 1.192 . . . . 0.0 109.819 -175.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -71.89 -39.4 69.61 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.451 1.5 . . . . 0.0 112.614 -177.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.3 p -102.7 -158.61 0.68 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 127.526 2.331 . . . . 0.0 112.816 -176.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 m -121.72 -22.77 5.71 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.406 -1.434 . . . . 0.0 114.837 -165.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -88.53 -12.84 64.15 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 124.7 1.143 . . . . 0.0 113.828 174.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 t -64.3 -50.48 67.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.327 1.851 . . . . 0.0 112.186 -176.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 p -59.54 -39.62 84.54 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 124.002 0.921 . . . . 0.0 112.018 174.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.88 -36.03 91.59 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 119.464 -0.631 . . . . 0.0 112.085 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.46 -53.9 14.47 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.817 1.247 . . . . 0.0 112.431 178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.23 -38.21 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 CA-C-N 118.767 0.712 . . . . 0.0 111.266 178.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -60.31 -44.64 95.25 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.525 0.73 . . . . 0.0 111.428 171.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -62.77 -44.47 96.09 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.069 -1.019 . . . . 0.0 112.717 176.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.76 -38.98 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 CA-C-N 119.58 1.082 . . . . 0.0 111.587 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.2 mt -74.86 -30.87 61.47 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 92.5 m -67.7 -12.74 61.17 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.852 1.261 . . . . 0.0 112.82 177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -50.92 -20.88 1.47 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.7 1.2 . . . . 0.0 113.327 161.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.6 mt -116.92 25.38 10.56 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.502 1.921 . . . . 0.0 113.449 -169.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -50.14 -32.05 5.31 Favored Pre-proline 0 N--CA 1.479 0.999 0 N-CA-C 115.508 1.67 . . . . 0.0 115.508 175.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -61.61 -14.05 33.39 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 CA-C-N 121.93 1.725 . . . . 0.0 114.544 174.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -126.45 -27.44 3.17 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 124.922 1.289 . . . . 0.0 113.895 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.4 t -90.86 121.47 41.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 126.117 1.767 . . . . 0.0 110.004 175.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.2 t -79.25 -45.97 18.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.56 1.144 . . . . 0.0 112.135 -177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -158.15 147.61 19.63 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.205 1.402 . . . . 0.0 112.207 -177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -121.64 143.09 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 126.609 1.964 . . . . 0.0 107.88 164.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -142.29 134.46 27.54 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.229 1.012 . . . . 0.0 112.185 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 43.5 mm -105.5 133.62 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.178 1.391 . . . . 0.0 112.56 -170.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.3 m -124.83 73.04 1.25 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 126.403 1.881 . . . . 0.0 109.633 171.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.8 tp -58.66 -45.02 90.26 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.975 1.71 . . . . 0.0 114.632 -164.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -72.14 -26.61 62.17 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.896 0.878 . . . . 0.0 111.988 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -92.81 6.01 49.15 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.933 1.693 . . . . 0.0 112.941 167.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 60.66 21.58 11.49 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.827 2.451 . . . . 0.0 114.717 176.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.3 mt -100.31 144.73 28.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.019 1.328 . . . . 0.0 112.622 -172.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -127.85 132.76 68.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 126.329 1.852 . . . . 0.0 108.755 172.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.7 140.9 44.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.729 1.611 . . . . 0.0 110.579 173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 46.7 t -135.03 144.53 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.08 1.352 . . . . 0.0 110.154 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -127.72 117.81 22.62 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.105 1.762 . . . . 0.0 110.084 172.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.8 t -165.0 154.83 13.3 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 121.065 -1.022 . . . . 0.0 112.993 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 m -89.08 2.9 53.4 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.591 1.957 . . . . 0.0 112.009 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.35 167.24 37.71 Favored Pre-proline 0 CA--C 1.553 1.079 0 C-N-CA 126.009 1.724 . . . . 0.0 113.46 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.12 145.66 85.16 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.576 2.85 . . . . 0.0 111.944 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -62.58 -45.9 90.79 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.764 0.826 . . . . 0.0 112.518 175.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.71 -35.78 75.22 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.516 1.126 . . . . 0.0 112.784 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -64.12 -31.49 72.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 122.122 -0.361 . . . . 0.0 111.354 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.97 -39.94 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 O-C-N 121.064 -1.022 . . . . 0.0 111.295 172.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 99.1 mt -58.23 -45.87 86.94 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 119.254 0.934 . . . . 0.0 111.406 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -61.99 -38.63 89.33 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.488 1.515 . . . . 0.0 113.142 176.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -71.52 -37.7 71.16 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.715 0.689 . . . . 0.0 112.34 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.87 -53.35 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 C-N-CA 123.621 0.768 . . . . 0.0 110.056 171.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -59.45 -34.35 72.41 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.591 -0.693 . . . . 0.0 112.661 178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.4 tptm -59.71 -24.08 63.69 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.1 p -66.0 -38.29 88.1 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 120.4 1.455 . . . . 0.0 112.74 176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 92.48 -6.45 77.79 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 124.535 1.064 . . . . 0.0 113.791 -171.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -73.65 152.24 40.55 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 118.363 1.082 . . . . 0.0 110.028 165.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -95.98 147.66 23.46 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.813 0.845 . . . . 0.0 112.096 -172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -128.55 129.17 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.323 1.449 . . . . 0.0 110.776 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.2 mtt-85 -85.43 -48.7 8.74 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.024 1.329 . . . . 0.0 112.34 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 56.6 p -166.45 162.81 17.15 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.482 1.113 . . . . 0.0 111.127 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -143.71 167.97 26.5 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 124.061 0.839 . . . . 0.0 113.752 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -145.05 155.21 43.22 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 177.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.6 114.99 29.57 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.212 2.205 . . . . 0.0 106.837 169.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.25 1.096 0 CA-C-O 116.636 -1.65 . . . . 0.0 114.446 -167.66 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 121.101 0.477 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.425 ' HG2' ' H ' ' B' ' 3' ' ' GLU . 49.4 ttt180 -117.22 -175.75 2.86 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 127.732 2.413 . . . . 0.0 108.268 164.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 2' ' ' ARG . 61.8 mm-40 -140.35 156.63 46.35 Favored 'General case' 0 C--N 1.315 -0.919 0 C-N-CA 129.765 3.226 . . . . 0.0 111.172 -167.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -175.59 138.23 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.67 2.388 . . . . 0.0 110.008 177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 122.25 66.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 124.321 1.048 . . . . 0.0 109.253 177.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -110.61 146.86 35.4 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 125.631 1.572 . . . . 0.0 110.141 -172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -83.13 151.04 25.91 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-O 119.439 -0.315 . . . . 0.0 110.441 158.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 42.7 t -133.38 104.41 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 125.79 1.636 . . . . 0.0 107.956 174.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -87.78 -17.04 32.5 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.041 1.336 . . . . 0.0 112.741 -173.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -89.71 -4.1 73.32 Favored Glycine 0 CA--C 1.534 1.234 0 C-N-CA 124.989 1.28 . . . . 0.0 115.273 -174.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 11.5 ptp -86.5 161.55 18.52 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 118.66 1.23 . . . . 0.0 112.474 174.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 t -162.78 -43.81 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.196 1.399 . . . . 0.0 113.21 176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.51 -90.6 0.09 Allowed 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 125.044 1.338 . . . . 0.0 114.401 -163.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 13.1 p -165.51 -81.97 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.068 1.347 . . . . 0.0 112.475 -168.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -14.53 63.06 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.806 1.242 . . . . 0.0 114.238 -167.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.7 m -55.68 -29.42 59.33 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.27 1.428 . . . . 0.0 114.621 163.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.1 p -64.57 -50.38 67.49 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 119.397 0.999 . . . . 0.0 110.875 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -28.25 69.04 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 118.089 -0.957 . . . . 0.0 111.754 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 12.4 m -55.16 -34.54 63.91 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.273 0.942 . . . . 0.0 110.896 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 88.3 mt -67.84 -49.75 66.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.621 1.1 . . . . 0.0 110.693 177.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -65.18 -49.27 70.42 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.973 1.261 . . . . 0.0 112.067 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 53.6 m -50.43 -33.2 20.06 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.39 1.076 . . . . 0.0 113.5 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -86.84 -49.67 7.26 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.972 1.26 . . . . 0.0 113.994 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.64 -37.81 82.95 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 119.287 0.949 . . . . 0.0 111.558 -175.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -55.39 -27.09 45.36 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.661 1.118 . . . . 0.0 113.183 172.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.41 -0.24 55.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.726 1.61 . . . . 0.0 114.551 177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.3 mt -81.43 98.84 8.42 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 158.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -57.26 111.95 1.23 Allowed 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.982 -0.449 . . . . 0.0 110.133 -173.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 122.3 -18.02 8.38 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.29 1.424 . . . . 0.0 114.775 -169.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 45.5 t -68.34 124.37 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.613 2.206 . . . . 0.0 108.862 166.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.56 -40.21 9.97 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.003 1.321 . . . . 0.0 111.304 -169.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -163.81 134.41 4.4 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.564 1.146 . . . . 0.0 111.576 176.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 42.8 t -113.46 118.08 33.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.44 1.496 . . . . 0.0 111.348 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -110.1 148.33 31.94 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.309 1.844 . . . . 0.0 110.236 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -145.67 142.78 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.266 1.826 . . . . 0.0 109.973 -167.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 62.2 m -130.26 118.66 21.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.708 1.203 . . . . 0.0 110.448 163.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 42.0 tp -78.02 -38.09 45.49 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 126.598 1.959 . . . . 0.0 111.336 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.0 t -63.22 -32.78 57.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 CA-C-N 119.0 0.818 . . . . 0.0 112.08 -178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 6.4 p -106.86 -4.81 18.82 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.462 1.905 . . . . 0.0 113.598 179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 68.57 39.93 2.0 Allowed 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 126.444 1.897 . . . . 0.0 113.345 170.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -139.51 164.87 28.74 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.863 1.665 . . . . 0.0 112.676 -170.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 29.7 p -153.44 148.07 26.23 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.905 0.882 . . . . 0.0 113.045 177.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -121.22 109.83 15.43 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.037 1.735 . . . . 0.0 107.968 -175.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 21.7 t -112.53 128.64 69.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.556 1.542 . . . . 0.0 110.435 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 53.6 m -109.55 132.92 53.69 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 126.477 1.911 . . . . 0.0 106.606 -178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.22 127.14 6.24 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 123.665 1.698 . . . . 0.0 113.261 -163.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -68.31 163.99 21.74 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.728 2.411 . . . . 0.0 113.397 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -67.16 -4.18 9.57 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -169.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.77 -10.27 59.6 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 125.511 1.524 . . . . 0.0 113.226 169.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 99.3 t -130.4 155.18 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 126.737 2.015 . . . . 0.0 109.968 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 53.6 p -124.22 154.5 40.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.004 1.322 . . . . 0.0 112.388 174.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.04 -24.78 67.84 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -78.38 -18.48 55.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.137 0.88 . . . . 0.0 112.724 171.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.2 m -72.03 -50.49 28.04 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.393 -0.817 . . . . 0.0 110.17 164.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 93.5 mt -57.95 -51.55 69.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.845 0.858 . . . . 0.0 110.619 -177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.89 20.15 0.08 Allowed 'General case' 0 CA--C 1.556 1.193 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -135.97 -37.27 0.73 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.328 1.851 . . . . 0.0 110.254 173.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 mm -61.25 -42.92 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.543 1.137 . . . . 0.0 111.623 168.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.3 -24.59 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 119.045 0.839 . . . . 0.0 111.015 171.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -83.76 -32.41 25.44 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.853 -0.594 . . . . 0.0 112.17 175.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.21 -14.76 60.56 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 124.691 1.196 . . . . 0.0 112.961 169.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 84.7 m -74.12 -11.91 60.44 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 123.99 0.916 . . . . 0.0 112.445 161.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 92.54 11.07 59.82 Favored Glycine 0 N--CA 1.47 0.944 0 C-N-CA 125.259 1.409 . . . . 0.0 115.714 174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -91.16 -152.24 0.28 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.99 1.395 . . . . 0.0 110.657 176.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -152.95 149.43 28.21 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 127.207 2.203 . . . . 0.0 105.665 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 p -156.58 176.91 12.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.533 0.682 . . . . 0.0 112.74 -164.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -163.3 140.52 7.48 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.641 1.176 . . . . 0.0 108.455 -177.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.01 99.99 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tp -82.1 -48.32 11.51 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.737 1.215 . . . . 0.0 108.443 -165.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -152.56 166.58 31.61 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 125.661 1.585 . . . . 0.0 110.113 165.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -77.41 6.69 6.47 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 126.864 2.066 . . . . 0.0 115.496 171.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 C--O 1.253 1.285 0 C-N-CA 131.537 3.935 . . . . 0.0 113.273 -179.578 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.6 tpt . . . . . 0 N--CA 1.472 0.665 0 N-CA-C 110.488 -0.19 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.85 165.05 25.89 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.341 1.456 . . . . 0.0 111.887 176.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -58.39 129.36 41.67 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.351 1.461 . . . . 0.0 110.931 175.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -84.71 120.61 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 171.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.9 mptt -91.68 162.67 14.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 126.279 1.832 . . . . 0.0 110.856 174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -130.38 131.71 45.42 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.628 1.571 . . . . 0.0 110.441 -177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 51.4 m-85 -136.48 155.63 49.72 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.052 1.341 . . . . 0.0 112.137 -175.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -131.11 155.51 46.84 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.637 1.175 . . . . 0.0 110.554 164.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -136.02 148.39 48.37 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.812 2.045 . . . . 0.0 109.24 170.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -111.77 127.79 55.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.78 1.232 . . . . 0.0 109.377 166.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.2 t -132.72 147.23 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.825 1.65 . . . . 0.0 109.208 -165.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -72.05 85.93 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 123.33 0.652 . . . . 0.0 109.276 175.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.6 tpp -92.96 112.23 24.12 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.101 1.36 . . . . 0.0 109.925 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.0 p -96.65 -24.17 16.13 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -170.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.7 p -176.72 167.74 2.6 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.121 1.769 . . . . 0.0 112.59 -162.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.7 m -58.59 -25.18 62.33 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.641 1.176 . . . . 0.0 113.312 170.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.71 -26.04 68.28 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.095 0.855 . . . . 0.0 113.512 173.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.2 t -68.23 -57.43 6.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.668 1.187 . . . . 0.0 109.37 168.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -52.05 -42.64 63.3 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.703 1.201 . . . . 0.0 112.407 176.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.03 68.87 Favored Glycine 0 C--N 1.341 0.828 0 CA-C-O 118.909 -0.939 . . . . 0.0 113.273 -177.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.36 65.99 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.019 0.91 . . . . 0.0 111.066 173.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -54.59 -51.09 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.616 0.767 . . . . 0.0 110.294 175.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.27 -44.7 84.18 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.72 -0.613 . . . . 0.0 112.171 174.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -66.42 -26.63 67.31 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -177.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.3 t -67.87 -41.81 85.25 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 O-C-N 120.846 -1.159 . . . . 0.0 111.457 168.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -79.04 -27.91 43.18 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.3 p -61.53 -18.02 57.35 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 121.012 1.733 . . . . 0.0 113.619 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -61.05 -17.7 53.82 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.843 1.257 . . . . 0.0 113.869 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -117.34 13.42 14.54 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.257 1.423 . . . . 0.0 114.075 -168.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.59 -24.39 1.42 Allowed Pre-proline 0 N--CA 1.474 0.754 0 N-CA-C 116.495 2.035 . . . . 0.0 116.495 -178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -62.96 -21.0 72.92 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 CA-C-N 121.968 1.739 . . . . 0.0 114.009 171.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -119.98 -32.78 4.12 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.877 1.671 . . . . 0.0 113.179 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.1 t -87.32 121.16 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 125.81 1.644 . . . . 0.0 109.333 173.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.7 p -102.46 -22.48 14.05 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -170.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -153.16 143.79 22.68 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.63 1.172 . . . . 0.0 112.016 170.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.4 mt -128.41 149.04 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 126.664 1.985 . . . . 0.0 108.31 172.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -150.84 117.0 5.61 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.464 1.106 . . . . 0.0 111.375 169.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.6 mt -110.58 130.15 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.533 1.133 . . . . 0.0 110.958 -170.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.3 p -109.09 157.76 18.41 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.001 0.92 . . . . 0.0 111.769 168.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -106.86 -58.26 1.96 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.066 0.946 . . . . 0.0 109.473 173.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -58.68 -39.37 80.5 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.095 1.358 . . . . 0.0 112.371 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -91.47 1.01 57.43 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 60.22 4.04 0.61 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 127.733 2.413 . . . . 0.0 115.465 174.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.277 0.8 OUTLIER -102.21 150.36 23.37 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -172.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.7 t -121.07 134.67 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 C-N-CA 127.938 2.495 . . . . 0.0 107.687 173.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -122.14 130.98 53.72 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.203 1.801 . . . . 0.0 110.028 -175.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.5 t -136.46 142.92 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 C-N-CA 123.725 0.81 . . . . 0.0 112.099 -168.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -122.01 130.85 53.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.374 1.869 . . . . 0.0 111.222 162.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.5 t -166.25 153.48 9.73 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.583 1.153 . . . . 0.0 111.806 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.7 p -74.14 -10.54 59.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.233 1.813 . . . . 0.0 113.475 169.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.5 mt -77.98 152.36 79.67 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 124.655 1.182 . . . . 0.0 113.768 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.53 153.15 60.44 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 123.716 2.944 . . . . 0.0 111.727 169.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -69.76 -39.24 76.83 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -169.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -59.17 -38.59 80.14 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.365 1.066 . . . . 0.0 113.266 -175.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -58.0 -41.56 83.31 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.074 0.55 . . . . 0.0 111.421 175.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.8 mm -70.33 -40.95 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.503 0.721 . . . . 0.0 110.932 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.24 -47.61 78.13 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.112 0.565 . . . . 0.0 110.665 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -71.66 -23.15 61.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.7 mmmt -66.16 -53.46 37.29 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 119.804 1.184 . . . . 0.0 110.757 161.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.9 mt -60.66 -39.08 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.255 0 CA-C-N 119.389 0.995 . . . . 0.0 112.305 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -69.17 -25.95 64.61 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.469 1.108 . . . . 0.0 112.136 175.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -79.33 -25.51 42.31 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.972 -1.08 . . . . 0.0 113.907 167.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 61.8 m -73.39 -29.69 62.78 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.172 1.789 . . . . 0.0 114.312 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.44 -7.94 63.17 Favored Glycine 0 N--CA 1.476 1.347 0 N-CA-C 117.126 1.611 . . . . 0.0 117.126 171.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.07 149.65 27.14 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.18 1.49 . . . . 0.0 110.491 167.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.95 138.11 31.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.386 0.613 . . . . 0.0 111.638 -176.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.03 144.07 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 126.921 2.088 . . . . 0.0 109.667 -170.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -115.29 -38.53 3.79 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.903 1.281 . . . . 0.0 114.138 -174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.0 t -169.32 -177.21 2.76 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.544 1.138 . . . . 0.0 111.279 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 169.34 158.52 13.34 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.136 1.351 . . . . 0.0 113.188 175.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.54 159.33 39.63 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.273 1.212 . . . . 0.0 114.273 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -90.23 145.57 24.91 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.067 1.347 . . . . 0.0 109.989 163.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 pt? . . . . . 0 C--O 1.254 1.299 0 C-N-CA 124.697 1.199 . . . . 0.0 113.266 -178.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 121.052 0.453 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -94.07 94.72 8.57 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.04 2.136 . . . . 0.0 110.416 -172.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.56 132.04 52.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.769 1.228 . . . . 0.0 109.812 164.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 m -144.63 151.51 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 C-N-CA 125.8 1.64 . . . . 0.0 110.559 173.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.98 130.74 66.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 124.2 1.0 . . . . 0.0 109.231 177.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -119.34 145.48 46.13 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.208 1.403 . . . . 0.0 110.076 -169.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -84.49 140.13 31.69 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.242 -0.885 . . . . 0.0 109.035 163.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 64.8 t -124.59 118.58 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 126.054 1.742 . . . . 0.0 108.431 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -84.77 28.81 0.65 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.92 1.688 . . . . 0.0 114.156 -166.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.09 29.37 0.36 Allowed Glycine 0 N--CA 1.475 1.247 0 O-C-N 120.74 -1.225 . . . . 0.0 116.017 -175.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 66.1 mmm -77.13 83.84 3.62 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.881 1.272 . . . . 0.0 112.24 -171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 p -80.89 -61.47 1.95 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.762 1.625 . . . . 0.0 113.723 -171.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -153.93 -178.74 7.27 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 124.915 1.286 . . . . 0.0 112.376 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 60.5 m -69.17 -41.26 77.45 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.63 -1.294 . . . . 0.0 112.499 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.19 68.56 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.599 0.76 . . . . 0.0 112.505 175.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 98.6 m -71.26 -45.4 63.26 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.362 1.065 . . . . 0.0 113.342 172.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 28.4 p -95.29 -34.73 12.07 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 116.288 -1.815 . . . . 0.0 115.582 -157.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -18.38 64.44 Favored 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 122.547 2.43 . . . . 0.0 112.275 174.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.8 m -50.04 -38.06 36.03 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.579 1.152 . . . . 0.0 111.616 167.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 90.9 mt -56.45 -50.69 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.631 0.772 . . . . 0.0 110.283 173.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -60.04 -48.72 80.55 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 118.343 -0.836 . . . . 0.0 112.291 172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 87.5 m -54.5 -33.88 60.67 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 120.156 1.343 . . . . 0.0 113.53 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -89.02 -36.3 15.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 56.0 mt -68.28 -42.13 80.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.408 1.003 . . . . 0.0 111.651 174.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.15 -19.96 36.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.688 0.795 . . . . 0.0 112.658 178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.5 -12.77 60.03 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 175.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 91.2 mt -79.74 123.86 28.06 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 119.483 1.038 . . . . 0.0 110.965 -175.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -66.43 103.37 1.02 Allowed 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.352 1.461 . . . . 0.0 110.49 -176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.56 -2.65 18.05 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.619 1.581 . . . . 0.0 115.992 -173.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.03 136.56 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 120.236 2.018 . . . . 0.0 109.481 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 67.1 p -103.24 -35.58 8.39 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 0.0 112.403 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -157.48 138.59 13.49 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.788 1.635 . . . . 0.0 110.635 171.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 p -137.25 146.17 44.43 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.358 1.463 . . . . 0.0 111.283 172.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -168.66 -179.46 3.82 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.211 1.404 . . . . 0.0 112.503 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 1.9 pp -142.36 167.03 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 126.522 1.929 . . . . 0.0 112.95 -173.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 71.6 m -153.38 124.26 7.34 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.124 1.37 . . . . 0.0 111.033 171.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.53 -39.15 67.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.1 1.36 . . . . 0.0 114.033 -172.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 96.0 t -69.63 -27.34 33.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.593 1.088 . . . . 0.0 112.687 -168.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -111.15 5.78 20.29 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.853 1.661 . . . . 0.0 112.693 173.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 62.37 38.81 12.75 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.868 1.667 . . . . 0.0 112.987 171.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.41 157.06 30.11 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 -166.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 1.2 t -114.07 135.01 54.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.964 2.106 . . . . 0.0 109.327 167.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -118.09 110.6 17.83 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 126.62 1.968 . . . . 0.0 105.939 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.72 144.21 24.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.744 0.818 . . . . 0.0 112.712 -173.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -136.16 138.12 41.64 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 126.32 1.848 . . . . 0.0 107.495 -172.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 47.2 p90 -156.47 145.46 20.32 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-O 123.92 1.819 . . . . 0.0 111.059 -167.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -80.55 165.66 21.89 Favored 'General case' 0 C--N 1.312 -1.024 0 C-N-CA 127.963 2.505 . . . . 0.0 113.556 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 29.6 m120 -60.35 -9.46 3.56 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -171.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -86.21 2.04 48.52 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.886 1.274 . . . . 0.0 113.113 171.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 98.5 t -129.86 161.71 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 126.987 2.115 . . . . 0.0 109.832 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.7 t -146.34 146.94 30.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.736 1.614 . . . . 0.0 111.745 -179.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.05 -25.67 65.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.659 1.184 . . . . 0.0 113.614 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -70.43 -20.82 62.88 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.235 1.014 . . . . 0.0 112.882 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 23.1 m -72.94 -42.87 62.98 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 121.62 -0.675 . . . . 0.0 110.698 165.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 46.7 mt -60.8 -36.99 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 O-C-N 121.228 -0.92 . . . . 0.0 110.497 -176.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -58.87 -15.67 13.72 Favored 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -99.79 -41.72 7.14 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 126.067 1.747 . . . . 0.0 109.192 173.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 42.1 mm -58.86 -47.05 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.409 1.484 . . . . 0.0 112.732 176.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 50.9 mm -66.33 -26.85 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 CA-C-N 118.912 0.778 . . . . 0.0 110.714 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.22 -32.28 55.74 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.592 -0.718 . . . . 0.0 112.023 170.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -68.24 -31.81 71.56 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.769 1.168 . . . . 0.0 112.716 171.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 92.8 m -70.79 -13.91 62.23 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.964 1.306 . . . . 0.0 113.68 173.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 91.98 26.3 19.66 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 124.19 0.9 . . . . 0.0 114.539 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -127.72 -154.98 0.67 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.374 1.47 . . . . 0.0 108.967 173.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -163.64 148.71 10.88 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 125.831 1.652 . . . . 0.0 108.427 173.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 19.8 p -138.95 165.99 25.65 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 114.501 1.297 . . . . 0.0 114.501 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -137.63 139.26 40.21 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.643 1.977 . . . . 0.0 107.783 168.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 13.4 tt -72.97 111.74 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -86.45 -35.27 19.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.188 0.995 . . . . 0.0 109.2 -164.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -170.62 162.99 8.12 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.99 1.716 . . . . 0.0 111.378 167.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -67.61 27.66 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.259 2.624 . . . . 0.0 114.146 168.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . 0.253 54.2 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 129.556 3.142 . . . . 0.0 114.489 -172.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.33 165.13 25.7 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.114 1.365 . . . . 0.0 113.733 178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -89.52 165.47 14.27 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.846 1.658 . . . . 0.0 112.087 179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 82.5 mt 63.28 135.1 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 129.638 3.175 . . . . 0.0 114.935 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -89.8 162.86 15.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.743 1.617 . . . . 0.0 111.4 178.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -150.34 133.61 16.32 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.499 -1.376 . . . . 0.0 113.569 -169.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -145.7 158.14 43.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.915 1.286 . . . . 0.0 112.975 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -128.73 130.02 46.53 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.514 1.526 . . . . 0.0 110.66 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -121.91 140.61 52.21 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.106 1.362 . . . . 0.0 111.56 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -91.42 129.86 37.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.939 1.296 . . . . 0.0 111.339 173.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 t -118.35 141.68 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 126.043 1.737 . . . . 0.0 109.997 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.19 110.47 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.201 1.401 . . . . 0.0 107.696 171.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.4 mmt -79.79 127.93 32.82 Favored 'General case' 0 C--O 1.241 0.639 0 C-N-CA 123.136 0.575 . . . . 0.0 110.385 -175.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -129.98 -84.73 0.54 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.524 2.33 . . . . 0.0 107.15 -171.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.7 p -126.95 -170.93 2.3 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.377 1.871 . . . . 0.0 112.518 178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.5 m -70.97 -8.29 52.16 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 166.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.91 -50.73 4.79 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 125.592 1.568 . . . . 0.0 112.749 -175.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -61.21 -40.56 94.44 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 118.8 1.3 . . . . 0.0 112.496 178.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 84.1 p -68.33 -25.39 65.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.68 0.792 . . . . 0.0 113.131 173.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.13 -43.45 56.34 Favored Glycine 0 C--N 1.34 0.758 0 O-C-N 121.273 -0.892 . . . . 0.0 111.707 169.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -49.57 66.55 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.57 1.148 . . . . 0.0 112.657 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 p -62.08 -40.24 86.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 CA-C-N 118.721 0.691 . . . . 0.0 111.73 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -58.18 -40.41 81.42 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.526 -0.734 . . . . 0.0 111.397 170.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.83 -34.85 77.53 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 118.055 -0.974 . . . . 0.0 113.506 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.72 -48.93 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 CA-C-N 119.799 1.181 . . . . 0.0 111.05 172.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.57 -24.32 49.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.698 0.799 . . . . 0.0 113.11 -177.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.3 m -74.1 -10.75 59.93 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.44 1.496 . . . . 0.0 112.535 173.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -70.41 -18.59 63.02 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.626 -1.296 . . . . 0.0 113.042 167.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.8 mt -114.4 30.77 7.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.57 1.548 . . . . 0.0 113.236 -164.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -53.25 -42.84 93.33 Favored Pre-proline 0 N--CA 1.471 0.602 0 N-CA-C 118.304 2.705 . . . . 0.0 118.304 -164.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -74.86 -6.51 18.22 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 CA-C-N 122.205 1.823 . . . . 0.0 112.718 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -117.51 -26.34 6.67 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.371 1.068 . . . . 0.0 112.87 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -109.11 113.61 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 126.391 1.877 . . . . 0.0 108.832 171.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -88.87 -29.3 19.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.287 1.217 . . . . 0.0 114.287 -169.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' HE3' ' HB2' ' A' ' 37' ' ' ASP . 44.5 tptt -154.03 140.5 18.77 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.262 1.025 . . . . 0.0 113.132 -175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -129.81 141.6 46.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 127.173 2.189 . . . . 0.0 107.756 172.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.404 ' HB2' ' HE3' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -152.91 142.96 22.3 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.196 0.998 . . . . 0.0 110.336 165.282 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 53.4 mt -112.61 145.35 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 125.143 1.377 . . . . 0.0 110.859 -173.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.3 m -129.85 86.58 2.42 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.372 1.469 . . . . 0.0 111.112 -179.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.8 tt -55.77 -45.35 78.15 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 -171.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -68.89 -42.73 76.55 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.422 1.01 . . . . 0.0 111.818 -177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -71.45 -15.62 62.34 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.169 1.388 . . . . 0.0 113.271 175.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 70.63 22.9 4.83 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 127.616 2.366 . . . . 0.0 112.799 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 37.3 mt -112.53 161.32 16.89 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 125.619 1.568 . . . . 0.0 113.814 -169.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.21 137.25 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 127.154 2.182 . . . . 0.0 108.56 165.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -103.25 133.05 48.98 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.929 1.692 . . . . 0.0 109.815 172.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -129.14 138.59 54.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.473 1.109 . . . . 0.0 110.653 -179.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -127.16 136.75 52.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.039 1.736 . . . . 0.0 110.913 169.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -171.52 156.86 4.59 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.942 0.897 . . . . 0.0 112.037 -166.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.9 p -86.67 -7.79 58.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.474 1.51 . . . . 0.0 113.052 168.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -76.29 147.05 78.92 Favored Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.842 1.257 . . . . 0.0 111.657 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -77.82 155.02 30.55 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.299 2.666 . . . . 0.0 111.868 178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -61.15 -40.08 92.52 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.444 0.698 . . . . 0.0 112.584 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.03 -10.81 24.14 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.729 1.611 . . . . 0.0 113.993 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -99.27 -43.44 6.6 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.511 1.124 . . . . 0.0 111.703 167.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.1 tp -64.48 -35.71 75.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 67.2 mt -51.45 -52.5 45.81 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.082 1.353 . . . . 0.0 111.604 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -74.03 -11.59 60.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.767 1.627 . . . . 0.0 114.154 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -85.37 -44.26 12.95 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.21 1.004 . . . . 0.0 112.805 162.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.8 tt -80.26 -38.16 17.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 119.375 0.988 . . . . 0.0 113.396 -172.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -68.92 -26.98 65.36 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 120.113 1.324 . . . . 0.0 112.461 174.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 63.6 tttt -61.21 -3.79 0.97 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 115.128 1.529 . . . . 0.0 115.128 174.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.0 p -54.82 -60.68 3.03 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.621 1.568 . . . . 0.0 112.229 164.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.96 6.74 55.9 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 124.636 1.112 . . . . 0.0 115.876 -176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttt -162.87 152.04 15.09 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 118.691 1.246 . . . . 0.0 113.196 167.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . 0.316 81.8 mt-10 71.46 17.63 5.69 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.298 1.962 . . . . 0.0 116.298 152.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.0 t -112.52 134.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 125.067 1.347 . . . . 0.0 108.598 161.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -102.57 -45.04 5.16 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 -173.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 91.5 p -172.56 169.28 5.14 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.389 1.075 . . . . 0.0 111.176 -167.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -151.47 179.23 28.28 Favored Glycine 0 N--CA 1.468 0.815 0 C-N-CA 124.296 0.951 . . . . 0.0 114.023 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -176.54 165.03 2.6 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 126.403 1.881 . . . . 0.0 113.616 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -92.21 133.53 35.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.81 1.244 . . . . 0.0 110.023 161.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--O 1.252 1.212 0 C-N-CA 125.675 1.59 . . . . 0.0 113.324 -176.44 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 ttt180 -70.55 98.91 1.54 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 126.24 1.816 . . . . 0.0 110.729 -177.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.39 166.38 16.82 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 127.597 2.359 . . . . 0.0 112.666 171.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.2 p -177.03 141.63 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 127.939 2.496 . . . . 0.0 110.233 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.4 mt -116.47 136.16 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 164.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.407 ' HA ' ' H ' ' B' ' 69' ' ' LEU . 4.5 pp -133.58 142.94 48.38 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.668 0.787 . . . . 0.0 110.83 -179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -87.47 144.07 26.91 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 118.272 -0.87 . . . . 0.0 109.124 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.23 113.87 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 125.486 1.514 . . . . 0.0 107.803 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -78.57 -19.78 52.04 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 121.692 -0.63 . . . . 0.0 112.575 -174.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.37 -1.62 55.64 Favored Glycine 0 CA--C 1.534 1.234 0 N-CA-C 116.319 1.287 . . . . 0.0 116.319 -173.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 6.7 ptp -72.36 138.53 47.32 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.901 1.85 . . . . 0.0 112.054 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.0 t -174.71 -176.94 1.08 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 128.97 2.908 . . . . 0.0 108.055 -173.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 69.29 -163.73 0.18 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.771 2.428 . . . . 0.0 112.864 -177.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -127.45 -2.16 6.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.962 2.105 . . . . 0.0 112.547 163.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.85 -39.41 5.57 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.293 1.837 . . . . 0.0 112.039 174.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 58.4 m -67.45 -33.07 74.38 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.373 1.069 . . . . 0.0 113.649 -176.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 2.8 p -57.55 -45.94 84.5 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 126.234 1.814 . . . . 0.0 112.736 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -68.35 -11.85 60.19 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -171.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -53.7 -33.31 55.05 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.271 1.028 . . . . 0.0 110.849 168.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.2 -53.31 42.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.866 176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -55.87 -50.8 69.64 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 119.606 1.094 . . . . 0.0 112.843 172.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 83.7 m -46.21 -48.94 17.62 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.809 1.243 . . . . 0.0 111.64 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -82.83 -45.63 14.04 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.516 -0.754 . . . . 0.0 112.973 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.22 -41.48 98.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 120.578 1.536 . . . . 0.0 111.832 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mmt180 -70.36 -1.57 10.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.373 1.249 . . . . 0.0 114.373 171.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -103.03 -6.71 22.05 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 125.205 1.402 . . . . 0.0 114.334 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 37.4 mt -81.72 3.99 23.54 Favored 'General case' 0 N--CA 1.483 1.216 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 91.0 mttt 45.98 30.81 0.97 Allowed 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 127.888 2.475 . . . . 0.0 115.374 176.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -147.66 -12.66 0.16 Allowed Glycine 0 CA--C 1.541 1.665 0 C-N-CA 126.705 2.098 . . . . 0.0 117.192 -174.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 63.7 t -89.69 143.48 11.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 C-N-CA 127.12 2.168 . . . . 0.0 110.329 176.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 12.1 t -109.24 -31.39 7.59 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.654 1.182 . . . . 0.0 113.311 175.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -135.04 142.35 46.34 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.66 1.584 . . . . 0.0 111.176 176.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 13.1 p -160.75 119.15 2.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.814 1.246 . . . . 0.0 113.266 170.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -150.43 -174.53 4.78 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.169 2.188 . . . . 0.0 110.456 171.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 pt -146.17 163.24 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 126.509 1.924 . . . . 0.0 113.649 -164.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 15.3 t -134.15 121.86 22.03 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.818 1.247 . . . . 0.0 109.353 162.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 76.1 mt -75.55 -32.32 60.38 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.556 1.143 . . . . 0.0 113.351 -177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.0 t -60.72 -38.02 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.244 0 CA-C-N 119.846 1.203 . . . . 0.0 111.783 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 70.0 p -99.88 0.31 41.08 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.68 1.592 . . . . 0.0 113.0 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . 0.423 0.2 OUTLIER 40.09 50.49 2.52 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 127.956 2.502 . . . . 0.0 115.831 -170.569 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -111.59 156.05 22.39 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.535 1.534 . . . . 0.0 112.978 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 60.4 m -112.59 135.78 52.91 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.4 1.48 . . . . 0.0 110.576 164.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -107.32 104.2 13.74 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 126.855 2.062 . . . . 0.0 105.996 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 61.9 t -132.02 147.74 32.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.571 1.548 . . . . 0.0 111.412 -169.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.0 m -151.06 135.83 17.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.206 1.402 . . . . 0.0 109.201 -173.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -154.45 -168.43 2.92 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.384 1.474 . . . . 0.0 110.662 -167.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.36 174.36 13.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.655 2.382 . . . . 0.0 112.496 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -56.9 -12.5 2.01 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.975 2.584 . . . . 0.0 117.975 -161.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -69.0 -7.27 33.92 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.049 1.339 . . . . 0.0 113.213 169.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 9.9 p -142.93 169.32 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.501 1.52 . . . . 0.0 110.612 166.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 10.1 t -142.26 149.5 39.65 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.597 1.559 . . . . 0.0 111.641 -178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.76 -32.31 51.88 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.929 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.88 -20.86 61.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.718 0.807 . . . . 0.0 113.022 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 55.4 m -81.68 -41.62 21.1 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.189 0.996 . . . . 0.0 110.512 167.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.47 -44.91 97.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 O-C-N 121.321 -0.862 . . . . 0.0 111.093 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -68.49 -5.55 20.05 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -97.26 -50.36 4.59 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 120.83 -1.169 . . . . 0.0 107.937 172.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 17.2 mm -54.2 -50.22 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 126.602 1.961 . . . . 0.0 113.617 175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.31 -26.58 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 CA-C-N 118.705 0.684 . . . . 0.0 110.866 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -83.68 -24.65 31.21 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 172.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -77.46 -19.27 56.22 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.234 1.414 . . . . 0.0 113.278 170.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.5 m -66.49 -17.25 64.69 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.376 1.07 . . . . 0.0 112.702 162.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 89.2 27.6 22.69 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.482 1.039 . . . . 0.0 113.996 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -107.62 -161.41 0.78 Allowed 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.024 1.412 . . . . 0.0 110.363 168.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -162.27 141.7 9.51 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 127.477 2.311 . . . . 0.0 107.323 -175.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 26.1 p -158.92 155.46 27.7 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -156.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.73 136.0 54.18 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.478 1.511 . . . . 0.0 108.305 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 47.3 mm -77.22 83.13 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 106.125 -1.805 . . . . 0.0 106.125 172.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.407 ' H ' ' HA ' ' B' ' 6' ' ' LEU 0.268 0.3 OUTLIER -66.48 -36.6 83.15 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.05 -155.383 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttm-85 -171.27 132.93 0.82 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 128.002 2.521 . . . . 0.0 110.511 171.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -71.44 41.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 129.713 3.205 . . . . 0.0 114.64 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 54.3 m . . . . . 0 N--CA 1.483 1.181 0 O-C-N 119.78 -1.825 . . . . 0.0 112.437 -177.727 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 ptt? . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 119.564 -0.255 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.4 36.73 0.06 Allowed 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 125.82 1.648 . . . . 0.0 114.944 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -98.28 -177.03 3.58 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.517 2.327 . . . . 0.0 110.38 169.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.64 140.74 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.993 1.717 . . . . 0.0 111.531 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -109.13 159.54 16.81 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.157 1.383 . . . . 0.0 112.491 176.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -113.49 135.61 53.7 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.37 1.468 . . . . 0.0 111.31 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -131.33 153.46 49.58 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.506 1.523 . . . . 0.0 110.339 173.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -139.66 121.13 15.08 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.661 0.743 . . . . 0.0 110.582 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -111.95 139.66 47.26 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.208 1.403 . . . . 0.0 110.286 -178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -94.16 131.84 39.31 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.676 1.19 . . . . 0.0 108.161 160.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -142.7 142.33 26.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 119.903 1.229 . . . . 0.0 110.797 -167.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 87.0 t -64.75 128.15 26.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.748 0.819 . . . . 0.0 110.649 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 78.8 mtm -140.88 128.38 21.31 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.544 1.137 . . . . 0.0 110.8 172.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.83 -43.26 20.28 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.297 1.439 . . . . 0.0 113.608 -175.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.7 p -159.12 179.25 9.2 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.778 1.631 . . . . 0.0 113.267 -175.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 78.9 p -60.02 -11.22 5.34 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.306 1.842 . . . . 0.0 115.846 173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -30.83 11.47 Favored Glycine 0 N--CA 1.471 1.01 0 C-N-CA 124.745 1.164 . . . . 0.0 112.355 171.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.2 t -66.78 -46.86 73.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.711 1.205 . . . . 0.0 111.535 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.0 p -58.25 -29.34 65.69 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.316 1.046 . . . . 0.0 112.949 171.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.61 -40.34 32.4 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.358 0.98 . . . . 0.0 112.915 172.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.25 -44.33 92.11 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.215 1.008 . . . . 0.0 111.646 174.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.8 t -57.6 -49.62 79.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 123.168 0.587 . . . . 0.0 110.157 172.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -54.16 -42.8 70.02 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 118.765 0.711 . . . . 0.0 112.644 174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -58.34 -36.05 72.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.158 0.983 . . . . 0.0 112.788 177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.72 -50.02 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 118.953 0.797 . . . . 0.0 111.181 171.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.41 -31.9 70.83 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -175.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.4 m -50.44 -32.92 19.14 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.805 1.242 . . . . 0.0 113.209 175.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -60.2 -28.3 67.86 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 176.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -99.81 -4.5 30.36 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.135 1.374 . . . . 0.0 114.03 -171.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -51.93 -30.46 4.79 Favored Pre-proline 0 N--CA 1.47 0.56 0 N-CA-C 116.227 1.936 . . . . 0.0 116.227 179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -56.63 -25.1 57.75 Favored 'Trans proline' 0 C--N 1.354 0.824 0 CA-C-N 122.31 1.861 . . . . 0.0 114.541 175.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -128.17 -12.81 5.13 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.947 1.299 . . . . 0.0 114.166 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 95.9 t -91.88 114.33 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.251 1.42 . . . . 0.0 108.593 164.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.6 p -81.73 -29.26 33.0 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 113.947 1.092 . . . . 0.0 113.947 -171.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -160.43 135.62 7.9 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.784 1.234 . . . . 0.0 111.897 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.9 pt -136.74 154.5 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 125.861 1.664 . . . . 0.0 111.631 175.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -152.86 112.51 3.9 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.433 1.093 . . . . 0.0 111.808 173.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.9 mt -97.18 127.04 49.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.753 2.021 . . . . 0.0 110.299 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.7 m -124.34 108.2 11.95 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.949 1.3 . . . . 0.0 113.34 -173.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 tp -79.86 131.87 35.97 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.95 0.9 . . . . 0.0 111.583 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 107.39 -46.4 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 131.535 3.934 . . . . 0.0 110.657 -179.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -85.46 -7.51 58.88 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.371 -0.83 . . . . 0.0 112.926 168.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 59.43 25.44 14.19 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 128.578 2.751 . . . . 0.0 116.112 170.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.9 mt -101.64 153.68 19.55 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.897 1.279 . . . . 0.0 112.969 -174.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.1 t -134.57 119.64 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 127.004 2.122 . . . . 0.0 108.47 170.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.41 138.72 31.27 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.579 1.152 . . . . 0.0 109.713 169.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.6 t -135.75 139.12 46.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.397 1.079 . . . . 0.0 110.693 -179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -126.5 126.49 43.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.872 1.669 . . . . 0.0 110.116 166.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.8 t -168.61 164.03 12.28 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.006 0.923 . . . . 0.0 112.999 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.8 p -88.91 -14.69 36.16 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.755 1.622 . . . . 0.0 113.041 163.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -66.12 155.38 87.58 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 124.447 1.099 . . . . 0.0 112.819 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.4 146.93 86.68 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.351 2.701 . . . . 0.0 113.52 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -63.01 -47.5 82.82 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.462 0.705 . . . . 0.0 111.94 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -63.48 -27.2 69.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.77 1.228 . . . . 0.0 113.032 174.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.47 -48.75 59.74 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 121.414 -0.804 . . . . 0.0 110.502 173.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 47.2 mm -62.96 -45.15 99.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-O 118.748 -0.644 . . . . 0.0 111.764 178.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.3 mt -52.22 -47.86 65.43 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.025 0.93 . . . . 0.0 111.976 175.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -66.35 -36.35 82.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.145 1.378 . . . . 0.0 114.125 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.1 mmtt -72.3 -37.87 68.86 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.992 1.269 . . . . 0.0 112.153 175.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.34 -55.21 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.996 0.918 . . . . 0.0 110.207 172.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -44.47 -49.4 9.88 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.215 1.406 . . . . 0.0 111.983 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -64.98 -12.83 54.41 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 26.6 p -74.48 -10.62 59.74 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 120.114 1.324 . . . . 0.0 114.208 172.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 84.44 -10.89 60.29 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 124.711 1.148 . . . . 0.0 113.751 -172.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -84.97 131.85 34.43 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.751 1.275 . . . . 0.0 109.383 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -80.76 141.53 34.69 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 120.938 0.399 . . . . 0.0 111.854 177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -74.2 124.61 32.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 165.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -82.39 -38.9 23.46 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.956 1.303 . . . . 0.0 110.945 177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -172.4 132.82 0.62 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.567 1.147 . . . . 0.0 113.016 169.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -107.81 143.47 16.01 Favored Glycine 0 N--CA 1.473 1.127 0 C-N-CA 124.298 0.951 . . . . 0.0 113.739 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -125.63 149.4 48.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.535 1.134 . . . . 0.0 112.468 167.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -94.16 135.99 34.94 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 126.587 1.955 . . . . 0.0 108.395 158.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.917 1.687 . . . . 0.0 112.284 -176.663 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.53 130.21 17.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.711 1.204 . . . . 0.0 111.037 166.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.6 127.64 32.44 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 126.93 2.092 . . . . 0.0 110.684 165.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.75 137.36 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 126.074 1.75 . . . . 0.0 108.414 174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mm -116.85 127.17 74.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -172.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.5 141.97 47.71 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.061 0.545 . . . . 0.0 110.028 176.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -93.04 126.03 37.93 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 178.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 61.3 t -105.64 107.75 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 124.953 1.301 . . . . 0.0 108.071 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -73.19 -15.73 61.44 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 123.921 0.888 . . . . 0.0 112.83 -172.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.6 12.09 27.89 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 125.955 1.741 . . . . 0.0 116.056 -173.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' MET . . . . . . . . . . . . . 10.3 ptp -93.04 144.59 25.1 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 119.885 1.843 . . . . 0.0 111.858 172.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 14.7 t -173.89 -25.56 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 125.761 1.624 . . . . 0.0 113.472 -173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.97 152.1 38.79 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.718 1.207 . . . . 0.0 111.902 173.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 75.0 m -82.26 -12.67 57.92 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.754 1.39 . . . . 0.0 114.754 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -116.63 -26.65 6.95 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.853 1.261 . . . . 0.0 114.079 176.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 89.4 m -65.96 -14.52 61.73 Favored 'General case' 0 CA--C 1.554 1.097 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -177.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 7.8 p -66.7 -55.79 13.54 Favored 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.154 1.381 . . . . 0.0 111.954 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -71.28 -3.31 19.75 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.023 0.829 . . . . 0.0 113.205 -176.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -56.43 -40.19 74.35 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.011 0.924 . . . . 0.0 110.137 160.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 60.0 mt -72.85 -50.39 33.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -56.97 -45.06 83.17 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 85.2 m -57.01 -26.59 60.51 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.021 1.329 . . . . 0.0 113.274 175.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -88.98 -49.12 6.96 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 119.484 1.038 . . . . 0.0 112.004 172.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 48.5 mt -60.34 -46.32 90.32 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 118.94 0.791 . . . . 0.0 112.121 -177.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -55.58 -25.5 38.58 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -92.85 -1.49 56.71 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.649 1.58 . . . . 0.0 113.956 -176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.93 121.03 20.33 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.55 1.068 . . . . 0.0 110.122 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -57.37 104.12 0.16 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.167 0.987 . . . . 0.0 111.574 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 130.46 -28.29 3.82 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.77 1.653 . . . . 0.0 113.624 -171.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.5 t -73.73 121.81 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 CA-C-N 118.872 1.336 . . . . 0.0 110.273 -178.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.4 p -93.62 -41.52 9.69 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.534 1.133 . . . . 0.0 111.058 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -139.1 151.1 46.43 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.805 1.642 . . . . 0.0 111.821 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 45.3 t -156.83 134.27 10.66 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.882 1.273 . . . . 0.0 110.125 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -152.48 176.0 12.14 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.357 1.863 . . . . 0.0 110.038 179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -151.03 136.66 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 125.91 1.684 . . . . 0.0 110.108 -172.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.1 m -127.58 118.52 24.1 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.476 1.111 . . . . 0.0 111.47 170.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 31.6 mt -67.43 -28.58 68.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.658 1.583 . . . . 0.0 114.112 175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.28 -41.49 61.61 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 CA-C-N 119.663 1.12 . . . . 0.0 112.023 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 15.1 p -108.81 -1.64 19.09 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.88 1.672 . . . . 0.0 113.393 174.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 65.12 37.46 6.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.886 2.074 . . . . 0.0 112.314 177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -109.13 136.75 48.11 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.576 1.15 . . . . 0.0 113.158 -168.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' CYS . . . . . . . . . . . . . 87.3 m -93.95 123.6 37.41 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.395 1.078 . . . . 0.0 109.698 165.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -106.35 79.33 1.37 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.627 1.971 . . . . 0.0 108.689 -171.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 14.0 p -109.0 145.17 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 C-N-CA 124.137 0.975 . . . . 0.0 111.369 -172.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.8 m -144.03 134.29 24.43 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.289 1.435 . . . . 0.0 108.193 -168.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -167.99 148.83 5.1 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 122.899 1.333 . . . . 0.0 112.107 -160.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -94.49 162.05 13.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 113.323 -1.762 . . . . 0.0 112.196 150.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . 0.284 0.5 OUTLIER 108.7 160.09 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 131.528 3.931 . . . . 0.0 112.614 177.251 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -53.6 -24.85 15.16 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.798 2.439 . . . . 0.0 117.009 -177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.55 140.62 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 120.163 1.347 . . . . 0.0 114.34 -169.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 76.8 p -94.81 148.35 22.39 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.738 1.615 . . . . 0.0 112.826 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.51 -28.31 68.29 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 171.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.34 -31.95 70.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.132 1.373 . . . . 0.0 113.105 168.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 74.4 m -86.18 -39.74 16.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.297 1.039 . . . . 0.0 112.64 175.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.87 -40.48 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 118.797 0.726 . . . . 0.0 110.204 174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -46.38 -40.15 11.55 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.668 1.187 . . . . 0.0 113.885 168.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -74.34 -28.07 60.98 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.34 1.456 . . . . 0.0 110.645 -177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 60.8 mt -75.87 -43.34 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 125.0 1.32 . . . . 0.0 110.61 176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ILE . . . . . . . . . . . . . 88.9 mt -66.54 -33.32 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 123.192 0.597 . . . . 0.0 110.03 174.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -70.32 -35.52 73.7 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 118.666 -0.683 . . . . 0.0 112.411 169.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -68.78 -18.6 64.22 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 171.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -73.19 -15.9 61.44 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.935 0.894 . . . . 0.0 112.592 166.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.25 13.25 29.2 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.653 1.597 . . . . 0.0 115.106 177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -103.58 -153.47 0.48 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.195 1.497 . . . . 0.0 110.401 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -161.76 141.12 9.92 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.995 1.318 . . . . 0.0 109.038 -179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' CYS . . . . . . . . . . . . . 31.3 p -172.13 169.91 5.39 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -159.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -165.86 158.57 15.1 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 129.135 2.974 . . . . 0.0 107.465 172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ILE . . . . . . . . . . . . . 16.3 tt -51.84 134.11 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 121.841 0.829 . . . . 0.0 112.223 175.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.58 -57.38 2.9 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.715 1.206 . . . . 0.0 107.912 171.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -176.34 164.71 2.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.516 2.327 . . . . 0.0 108.791 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -98.63 98.75 9.87 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.158 0.983 . . . . 0.0 111.136 167.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 75.8 m . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.611 1.964 . . . . 0.0 113.67 179.712 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_