data_2afe_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 2afe _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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.507 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m 45.09 38.09 2.95 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.543 1.137 . . . . 0.0 111.634 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -68.15 150.51 48.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 mtp 154.05 95.27 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 130.673 3.589 . . . . 0.0 104.413 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 159.49 141.27 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 128.02 2.528 . . . . 0.0 107.4 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -66.38 167.36 10.68 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.019 1.328 . . . . 0.0 109.921 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mt -132.53 -124.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.85 134.12 4.76 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 125.913 1.685 . . . . 0.0 108.039 177.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -67.37 93.29 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 124.611 3.541 . . . . 0.0 109.161 -168.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.8 -10.89 14.43 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 123.832 0.853 . . . . 0.0 112.545 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -168.43 170.04 10.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 165.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.41 -31.22 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.084 0.553 . . . . 0.0 110.77 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.17 -40.95 64.73 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.87 1.668 . . . . 0.0 111.336 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.35 -49.69 21.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 mt -57.25 -40.08 71.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.32 -63.83 1.04 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.435 1.494 . . . . 0.0 109.413 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 m -59.62 -29.63 68.14 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.955 1.252 . . . . 0.0 113.177 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.413 ' CZ3' HD11 ' A' ' 57' ' ' LEU . 86.9 t90 -66.39 -53.57 34.34 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.153 0.581 . . . . 0.0 109.491 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.86 -47.3 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 mm -61.52 -52.2 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 124.381 1.051 . . . . 0.0 110.159 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.35 -42.41 79.26 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.028 -1.045 . . . . 0.0 109.532 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.495 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 5.4 mm-40 -61.57 -16.99 53.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.891 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -50.71 8.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.67 -53.8 13.91 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 125.274 1.43 . . . . 0.0 110.765 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.495 ' CG ' ' HA ' ' A' ' 22' ' ' GLN . 1.5 pp0? -74.22 -12.26 60.52 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.13 1.772 . . . . 0.0 112.743 -176.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -81.11 -39.79 25.07 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.009 -1.057 . . . . 0.0 109.305 165.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.2 mt -96.48 -11.23 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.613 1.565 . . . . 0.0 113.038 -163.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 t0 78.51 21.42 0.79 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 129.279 3.032 . . . . 0.0 111.794 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.95 -175.95 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.889 1.676 . . . . 0.0 113.155 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.78 152.75 77.81 Favored Pre-proline 0 N--CA 1.444 -0.756 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -62.15 -38.36 56.45 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 121.474 1.45 . . . . 0.0 110.901 172.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -8.92 55.42 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -175.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -87.14 -5.23 59.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.897 0.879 . . . . 0.0 112.06 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -80.42 125.69 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.628 0.771 . . . . 0.0 113.012 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.16 91.51 4.96 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.728 1.211 . . . . 0.0 109.565 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -4.08 0.55 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 168.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.31 -14.64 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.397 1.079 . . . . 0.0 111.248 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.94 147.88 26.51 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.327 1.051 . . . . 0.0 109.59 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 t -69.59 137.1 52.05 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-O 121.95 0.881 . . . . 0.0 109.403 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.65 -24.16 63.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.338 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.27 -15.1 63.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.222 0.919 . . . . 0.0 110.349 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -92.87 -23.53 18.76 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.419 0.688 . . . . 0.0 111.516 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -79.82 -177.98 6.2 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 122.679 1.228 . . . . 0.0 109.159 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.57 -1.63 0.4 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.334 2.254 . . . . 0.0 114.181 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.13 32.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.232 -1.543 . . . . 0.0 113.258 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -24.79 -63.82 0.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 129.116 2.966 . . . . 0.0 115.076 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.8 t -153.52 -61.19 0.14 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.599 0.636 . . . . 0.0 110.004 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -67.81 -21.33 65.22 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 121.383 -0.823 . . . . 0.0 112.906 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -43.56 -41.06 4.33 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 123.915 0.886 . . . . 0.0 112.339 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.5 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 124.774 1.296 . . . . 0.0 108.802 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.57 -37.73 83.05 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.082 1.353 . . . . 0.0 112.787 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -54.58 -59.34 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.045 1.293 . . . . 0.0 107.916 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.59 -25.05 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.881 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.92 -57.92 10.91 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 163.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.83 -9.53 20.56 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.506 1.048 . . . . 0.0 114.397 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -83.23 -59.64 2.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 118.296 1.048 . . . . 0.0 109.23 160.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 HD11 ' CZ3' ' A' ' 18' ' ' TRP . 2.2 tp -50.43 -55.31 16.38 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.044 2.138 . . . . 0.0 113.439 -174.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.424 ' OE1' ' HE3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -58.88 -47.16 85.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 110.919 -178.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HE3' ' OE1' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -61.47 -39.22 90.1 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.69 1.196 . . . . 0.0 113.778 175.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -59.97 -40.95 90.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.495 1.118 . . . . 0.0 109.21 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.6 -19.21 46.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.943 0.897 . . . . 0.0 111.662 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.5 56.25 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.915 1.721 . . . . 0.0 115.128 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -132.05 -153.09 0.53 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.37 1.585 . . . . 0.0 110.645 -166.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -105.68 -179.49 3.96 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.69 2.796 . . . . 0.0 109.462 167.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -137.84 -169.08 2.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.596 2.358 . . . . 0.0 108.445 168.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -147.24 144.58 19.85 Favored Pre-proline 0 N--CA 1.469 0.497 0 C-N-CA 125.735 1.614 . . . . 0.0 107.601 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.71 -24.95 34.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.159 1.906 . . . . 0.0 111.463 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.3 t -51.87 -31.43 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 125.492 1.517 . . . . 0.0 110.85 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.87 -25.19 61.01 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 119.573 1.079 . . . . 0.0 112.612 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mm -57.41 -53.54 42.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 162.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.05 12.41 3.39 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.889 1.676 . . . . 0.0 113.057 -169.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -142.87 -32.1 0.49 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.634 1.574 . . . . 0.0 110.731 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.568 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 25.2 m-85 -134.01 66.05 71.09 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.02 -1.05 . . . . 0.0 109.125 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -84.3 42.66 1.22 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.236 2.624 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.1 p -153.25 155.87 37.4 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 mp -64.61 -45.1 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 O-C-N 120.931 -1.106 . . . . 0.0 109.09 177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.24 -4.17 7.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.379 1.471 . . . . 0.0 114.27 -175.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -116.49 -48.45 2.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.749 1.62 . . . . 0.0 107.429 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.02 -58.39 6.85 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.091 0.86 . . . . 0.0 110.051 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.26 -48.34 65.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.167 0.587 . . . . 0.0 110.05 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -52.18 -62.99 1.29 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.184 0.594 . . . . 0.0 110.665 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.568 ' HG3' ' CZ ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -62.63 -32.5 73.55 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.555 -0.716 . . . . 0.0 110.157 -171.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.66 -39.12 92.91 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 120.936 -1.103 . . . . 0.0 109.761 173.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.5 3.41 3.58 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.524 -1.153 . . . . 0.0 115.197 170.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.96 -40.02 2.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.891 1.846 . . . . 0.0 111.575 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.86 -31.29 71.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.486 0.714 . . . . 0.0 110.657 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -116.45 -64.93 1.24 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.287 1.035 . . . . 0.0 109.44 -172.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.25 1.12 0 O-C-N 123.753 0.658 . . . . 0.0 111.04 -175.154 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.507 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m 45.09 38.09 2.95 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.543 1.137 . . . . 0.0 111.634 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -68.15 150.51 48.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 mtp 154.05 95.27 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 130.673 3.589 . . . . 0.0 104.413 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 159.49 141.27 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 128.02 2.528 . . . . 0.0 107.4 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -66.38 167.36 10.68 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.019 1.328 . . . . 0.0 109.921 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mt -132.53 -124.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.85 134.12 4.76 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 125.913 1.685 . . . . 0.0 108.039 177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -67.37 93.29 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 124.611 3.541 . . . . 0.0 109.161 -168.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.8 -10.89 14.43 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 123.832 0.853 . . . . 0.0 112.545 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -168.43 170.04 10.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 165.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.41 -31.22 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.084 0.553 . . . . 0.0 110.77 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.17 -40.95 64.73 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.87 1.668 . . . . 0.0 111.336 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.35 -49.69 21.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 15' ' ' ILE . 1.2 mt -57.25 -40.08 71.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.32 -63.83 1.04 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.435 1.494 . . . . 0.0 109.413 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 m -59.62 -29.63 68.14 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.955 1.252 . . . . 0.0 113.177 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ3' HD13 ' A' ' 57' ' ' LEU . 86.9 t90 -66.39 -53.57 34.34 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.153 0.581 . . . . 0.0 109.491 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.86 -47.3 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 HD13 ' A' ' 76' ' ' ILE . 12.8 mm -61.52 -52.2 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 124.381 1.051 . . . . 0.0 110.159 -174.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.35 -42.41 79.26 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.028 -1.045 . . . . 0.0 109.532 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 5.4 mm-40 -61.57 -16.99 53.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.891 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -50.71 8.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 31' ' ' PRO . . . -47.67 -53.8 13.91 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 125.274 1.43 . . . . 0.0 110.765 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' CG ' ' HA ' ' A' ' 22' ' ' GLN . 1.5 pp0? -74.22 -12.26 60.52 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.13 1.772 . . . . 0.0 112.743 -176.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -81.11 -39.79 25.07 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.009 -1.057 . . . . 0.0 109.305 165.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.2 mt -96.48 -11.23 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.613 1.565 . . . . 0.0 113.038 -163.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 t0 78.51 21.42 0.79 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 129.279 3.032 . . . . 0.0 111.794 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.95 -175.95 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.889 1.676 . . . . 0.0 113.155 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.78 152.75 77.81 Favored Pre-proline 0 N--CA 1.444 -0.756 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 10.6 Cg_endo -62.15 -38.36 56.45 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 121.474 1.45 . . . . 0.0 110.901 172.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -8.92 55.42 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -175.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -87.14 -5.23 59.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.897 0.879 . . . . 0.0 112.06 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -80.42 125.69 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.628 0.771 . . . . 0.0 113.012 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.16 91.51 4.96 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.728 1.211 . . . . 0.0 109.565 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -4.08 0.55 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 168.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.31 -14.64 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.397 1.079 . . . . 0.0 111.248 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.94 147.88 26.51 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.327 1.051 . . . . 0.0 109.59 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 t -69.59 137.1 52.05 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-O 121.95 0.881 . . . . 0.0 109.403 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.65 -24.16 63.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.338 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.27 -15.1 63.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.222 0.919 . . . . 0.0 110.349 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -92.87 -23.53 18.76 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.419 0.688 . . . . 0.0 111.516 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -79.82 -177.98 6.2 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 122.679 1.228 . . . . 0.0 109.159 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.57 -1.63 0.4 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.334 2.254 . . . . 0.0 114.181 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.13 32.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.232 -1.543 . . . . 0.0 113.258 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -24.79 -63.82 0.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 129.116 2.966 . . . . 0.0 115.076 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.8 t -153.52 -61.19 0.14 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.599 0.636 . . . . 0.0 110.004 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -67.81 -21.33 65.22 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 121.383 -0.823 . . . . 0.0 112.906 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -43.56 -41.06 4.33 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 123.915 0.886 . . . . 0.0 112.339 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.5 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 124.774 1.296 . . . . 0.0 108.802 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.57 -37.73 83.05 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.082 1.353 . . . . 0.0 112.787 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -54.58 -59.34 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.045 1.293 . . . . 0.0 107.916 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.59 -25.05 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.881 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.92 -57.92 10.91 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 163.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.83 -9.53 20.56 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.506 1.048 . . . . 0.0 114.397 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -83.23 -59.64 2.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 118.296 1.048 . . . . 0.0 109.23 160.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD13 ' CZ3' ' A' ' 18' ' ' TRP . 2.2 tp -50.43 -55.31 16.38 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.044 2.138 . . . . 0.0 113.439 -174.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' OE1' ' HE3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -58.88 -47.16 85.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 110.919 -178.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HE3' ' OE1' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -61.47 -39.22 90.1 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.69 1.196 . . . . 0.0 113.778 175.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -59.97 -40.95 90.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.495 1.118 . . . . 0.0 109.21 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.6 -19.21 46.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.943 0.897 . . . . 0.0 111.662 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.5 56.25 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.915 1.721 . . . . 0.0 115.128 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -132.05 -153.09 0.53 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.37 1.585 . . . . 0.0 110.645 -166.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -105.68 -179.49 3.96 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.69 2.796 . . . . 0.0 109.462 167.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -137.84 -169.08 2.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.596 2.358 . . . . 0.0 108.445 168.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -147.24 144.58 19.85 Favored Pre-proline 0 N--CA 1.469 0.497 0 C-N-CA 125.735 1.614 . . . . 0.0 107.601 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.71 -24.95 34.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.159 1.906 . . . . 0.0 111.463 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.3 t -51.87 -31.43 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 125.492 1.517 . . . . 0.0 110.85 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.87 -25.19 61.01 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 119.573 1.079 . . . . 0.0 112.612 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mm -57.41 -53.54 42.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 162.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.05 12.41 3.39 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.889 1.676 . . . . 0.0 113.057 -169.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -142.87 -32.1 0.49 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.634 1.574 . . . . 0.0 110.731 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 25.2 m-85 -134.01 66.05 71.09 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.02 -1.05 . . . . 0.0 109.125 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -84.3 42.66 1.22 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.236 2.624 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.1 p -153.25 155.87 37.4 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD13 HD13 ' A' ' 20' ' ' ILE . 1.3 mp -64.61 -45.1 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 O-C-N 120.931 -1.106 . . . . 0.0 109.09 177.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.24 -4.17 7.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.379 1.471 . . . . 0.0 114.27 -175.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -116.49 -48.45 2.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.749 1.62 . . . . 0.0 107.429 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.02 -58.39 6.85 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.091 0.86 . . . . 0.0 110.051 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.26 -48.34 65.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.167 0.587 . . . . 0.0 110.05 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -52.18 -62.99 1.29 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.184 0.594 . . . . 0.0 110.665 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -62.63 -32.5 73.55 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.555 -0.716 . . . . 0.0 110.157 -171.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.66 -39.12 92.91 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 120.936 -1.103 . . . . 0.0 109.761 173.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.5 3.41 3.58 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.524 -1.153 . . . . 0.0 115.197 170.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.96 -40.02 2.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.891 1.846 . . . . 0.0 111.575 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.86 -31.29 71.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.486 0.714 . . . . 0.0 110.657 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -116.45 -64.93 1.24 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.287 1.035 . . . . 0.0 109.44 -172.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.25 1.12 0 O-C-N 123.753 0.658 . . . . 0.0 111.04 -175.154 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.507 0 N-CA-C 110.538 -1.025 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m 45.09 38.09 2.95 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.543 1.137 . . . . 0.0 111.634 -172.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -68.15 150.51 48.26 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.9 mtp 154.05 95.27 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.139 0 C-N-CA 130.673 3.589 . . . . 0.0 104.413 -176.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.5 mttm 159.49 141.27 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.582 0 C-N-CA 128.02 2.528 . . . . 0.0 107.4 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.1 p -66.38 167.36 10.68 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 125.019 1.328 . . . . 0.0 109.921 176.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.7 mt -132.53 -124.97 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 104.889 -2.263 . . . . 0.0 104.889 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.85 134.12 4.76 Favored Pre-proline 0 CA--C 1.528 0.105 0 C-N-CA 125.913 1.685 . . . . 0.0 108.039 177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -67.37 93.29 0.35 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 124.611 3.541 . . . . 0.0 109.161 -168.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.8 -10.89 14.43 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 123.832 0.853 . . . . 0.0 112.545 -177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 p -168.43 170.04 10.1 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 105.622 -1.992 . . . . 0.0 105.622 165.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.1 t -54.41 -31.22 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 123.084 0.553 . . . . 0.0 110.77 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.17 -40.95 64.73 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.87 1.668 . . . . 0.0 111.336 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.35 -49.69 21.76 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.114 0.566 . . . . 0.0 109.627 -177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 15' ' ' ILE . 1.2 mt -57.25 -40.08 71.48 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.32 -63.83 1.04 Allowed 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.435 1.494 . . . . 0.0 109.413 171.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 m -59.62 -29.63 68.14 Favored 'General case' 0 C--N 1.334 -0.078 0 CA-C-N 119.955 1.252 . . . . 0.0 113.177 -175.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.436 ' CZ3' HD13 ' A' ' 57' ' ' LEU . 86.9 t90 -66.39 -53.57 34.34 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 123.153 0.581 . . . . 0.0 109.491 177.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.86 -47.3 77.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 HD13 HD13 ' A' ' 76' ' ' ILE . 12.8 mm -61.52 -52.2 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 O-C-N 124.381 1.051 . . . . 0.0 110.159 -174.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.35 -42.41 79.26 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 121.028 -1.045 . . . . 0.0 109.532 -175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 5.4 mm-40 -61.57 -16.99 53.02 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 118.333 -0.841 . . . . 0.0 111.891 172.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -83.04 -50.71 8.23 Favored 'General case' 0 N--CA 1.454 -0.269 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 173.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.472 ' HB2' ' HA ' ' A' ' 31' ' ' PRO . . . -47.67 -53.8 13.91 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 125.274 1.43 . . . . 0.0 110.765 177.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.49 ' CG ' ' HA ' ' A' ' 22' ' ' GLN . 1.5 pp0? -74.22 -12.26 60.52 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 126.13 1.772 . . . . 0.0 112.743 -176.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -81.11 -39.79 25.07 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.009 -1.057 . . . . 0.0 109.305 165.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.2 mt -96.48 -11.23 25.85 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 125.613 1.565 . . . . 0.0 113.038 -163.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.2 t0 78.51 21.42 0.79 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 129.279 3.032 . . . . 0.0 111.794 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.95 -175.95 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.889 1.676 . . . . 0.0 113.155 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.78 152.75 77.81 Favored Pre-proline 0 N--CA 1.444 -0.756 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 169.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.472 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 10.6 Cg_endo -62.15 -38.36 56.45 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 121.474 1.45 . . . . 0.0 110.901 172.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.65 -8.92 55.42 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.233 -175.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -87.14 -5.23 59.08 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.897 0.879 . . . . 0.0 112.06 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.3 mm -80.42 125.69 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.628 0.771 . . . . 0.0 113.012 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -79.16 91.51 4.96 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 124.728 1.211 . . . . 0.0 109.565 171.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.47 -4.08 0.55 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 115.678 1.733 . . . . 0.0 115.678 168.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -116.31 -14.64 11.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.397 1.079 . . . . 0.0 111.248 -177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -84.94 147.88 26.51 Favored 'General case' 0 CA--C 1.511 -0.529 0 C-N-CA 124.327 1.051 . . . . 0.0 109.59 174.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.0 t -69.59 137.1 52.05 Favored 'General case' 0 N--CA 1.433 -1.306 0 CA-C-O 121.95 0.881 . . . . 0.0 109.403 -177.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.65 -24.16 63.64 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.338 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -68.27 -15.1 63.44 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.222 0.919 . . . . 0.0 110.349 -177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -92.87 -23.53 18.76 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.419 0.688 . . . . 0.0 111.516 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -79.82 -177.98 6.2 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-O 122.679 1.228 . . . . 0.0 109.159 169.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -60.57 -1.63 0.4 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.334 2.254 . . . . 0.0 114.181 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.13 32.11 0.07 Allowed 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.232 -1.543 . . . . 0.0 113.258 -178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -24.79 -63.82 0.05 Allowed 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 129.116 2.966 . . . . 0.0 115.076 -162.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.8 t -153.52 -61.19 0.14 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-N 118.599 0.636 . . . . 0.0 110.004 160.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 p -67.81 -21.33 65.22 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 121.383 -0.823 . . . . 0.0 112.906 -175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -43.56 -41.06 4.33 Favored 'General case' 0 CA--C 1.508 -0.641 0 C-N-CA 123.915 0.886 . . . . 0.0 112.339 169.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.47 -43.5 62.17 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 124.774 1.296 . . . . 0.0 108.802 -175.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.57 -37.73 83.05 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.082 1.353 . . . . 0.0 112.787 -174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 mp -54.58 -59.34 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 120.045 1.293 . . . . 0.0 107.916 175.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.9 tp -77.59 -25.05 49.63 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.881 -169.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 25.0 mt -58.92 -57.92 10.91 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 163.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -61.83 -9.53 20.56 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 119.506 1.048 . . . . 0.0 114.397 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -83.23 -59.64 2.4 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 118.296 1.048 . . . . 0.0 109.23 160.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.436 HD13 ' CZ3' ' A' ' 18' ' ' TRP . 2.2 tp -50.43 -55.31 16.38 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 127.044 2.138 . . . . 0.0 113.439 -174.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' OE1' ' HE3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -58.88 -47.16 85.92 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.428 -0.795 . . . . 0.0 110.919 -178.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' HE3' ' OE1' ' A' ' 58' ' ' GLU . 0.4 OUTLIER -61.47 -39.22 90.1 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 124.69 1.196 . . . . 0.0 113.778 175.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 27.0 t90 -59.97 -40.95 90.82 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.495 1.118 . . . . 0.0 109.21 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 mt -80.6 -19.21 46.02 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.943 0.897 . . . . 0.0 111.662 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.95 10.5 56.25 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.915 1.721 . . . . 0.0 115.128 178.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 48.1 mmtt -132.05 -153.09 0.53 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.37 1.585 . . . . 0.0 110.645 -166.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -105.68 -179.49 3.96 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.69 2.796 . . . . 0.0 109.462 167.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -137.84 -169.08 2.47 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.596 2.358 . . . . 0.0 108.445 168.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -147.24 144.58 19.85 Favored Pre-proline 0 N--CA 1.469 0.497 0 C-N-CA 125.735 1.614 . . . . 0.0 107.601 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.71 -24.95 34.34 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.159 1.906 . . . . 0.0 111.463 -173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.3 t -51.87 -31.43 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 C-N-CA 125.492 1.517 . . . . 0.0 110.85 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.0 mt -72.87 -25.19 61.01 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 119.573 1.079 . . . . 0.0 112.612 -176.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mm -57.41 -53.54 42.7 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 162.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.05 12.41 3.39 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.889 1.676 . . . . 0.0 113.057 -169.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -142.87 -32.1 0.49 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 125.634 1.574 . . . . 0.0 110.731 -173.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.656 ' CZ ' ' HG3' ' A' ' 82' ' ' ARG . 25.2 m-85 -134.01 66.05 71.09 Favored Pre-proline 0 CA--C 1.546 0.792 0 O-C-N 121.02 -1.05 . . . . 0.0 109.125 175.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -84.3 42.66 1.22 Allowed 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 123.236 2.624 . . . . 0.0 113.005 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 43.1 p -153.25 155.87 37.4 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD13 HD13 ' A' ' 20' ' ' ILE . 1.3 mp -64.61 -45.1 96.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 O-C-N 120.931 -1.106 . . . . 0.0 109.09 177.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.24 -4.17 7.21 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.379 1.471 . . . . 0.0 114.27 -175.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -116.49 -48.45 2.69 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.749 1.62 . . . . 0.0 107.429 174.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 40.2 tp -64.02 -58.39 6.85 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 119.091 0.86 . . . . 0.0 110.051 -176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.26 -48.34 65.3 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.167 0.587 . . . . 0.0 110.05 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -52.18 -62.99 1.29 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.184 0.594 . . . . 0.0 110.665 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.656 ' HG3' ' CZ ' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -62.63 -32.5 73.55 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.555 -0.716 . . . . 0.0 110.157 -171.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.66 -39.12 92.91 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 120.936 -1.103 . . . . 0.0 109.761 173.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -66.5 3.41 3.58 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 118.524 -1.153 . . . . 0.0 115.197 170.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -119.96 -40.02 2.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.891 1.846 . . . . 0.0 111.575 175.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -66.86 -31.29 71.8 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.486 0.714 . . . . 0.0 110.657 174.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -116.45 -64.93 1.24 Allowed 'General case' 0 C--O 1.232 0.18 0 C-N-CA 124.287 1.035 . . . . 0.0 109.44 -172.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 14.5 mt . . . . . 0 C--O 1.25 1.12 0 O-C-N 123.753 0.658 . . . . 0.0 111.04 -175.154 . . . . . . . . 0 0 . 1 stop_ save_