data_2mbo_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 2mbo _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.408 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.0 mm-40 -95.81 142.32 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.439 0.638 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -131.46 165.43 31.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.31 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.41 139.94 53.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.734 0.302 . . . . 0.0 111.313 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.9 123.71 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.03 142.31 31.68 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.884 0.373 . . . . 0.0 110.496 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.79 165.98 10.91 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 122.066 0.936 . . . . 0.0 111.067 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.93 -19.62 65.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.209 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 p -93.36 0.01 56.74 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.56 13.83 52.37 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.686 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -90.1 144.91 25.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.721 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -117.95 127.89 54.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.55 139.0 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -105.16 132.03 51.9 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.5 mt -127.28 150.29 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.556 0.217 . . . . 0.0 110.56 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.408 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.4 tt0 -100.93 122.17 43.02 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.05 168.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.616 0.722 . . . . 0.0 111.836 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.5 150.84 48.78 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.2 -24.17 65.62 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 CA-C-N 120.904 1.359 . . . . 0.0 112.702 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 p -85.27 -1.8 57.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -70.45 143.23 51.85 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.488 ' HG1' ' CG ' ' A' ' 25' ' ' ASN . 71.4 p -86.27 157.2 19.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.255 -1.339 . . . . 0.0 109.891 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -61.99 -39.7 84.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.323 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -38.27 82.08 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.488 ' CG ' ' HG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.2 -40.02 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.97 -43.76 99.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.362 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.76 -39.02 90.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.99 -39.95 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.08 -44.17 94.95 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.7 t0 -60.35 -40.54 91.1 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.729 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -81.75 -40.26 22.94 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.77 -14.94 13.93 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 11.11 82.54 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.119 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.47 116.97 67.85 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -58.75 134.77 62.73 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.371 1.168 . . . . 0.0 112.161 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.34 -31.38 22.72 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 122.655 2.237 . . . . 0.0 114.431 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.07 -16.3 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.641 0.655 . . . . 0.0 112.043 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -100.0 1.76 42.83 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -107.92 139.47 42.49 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.752 ' NH1' ' HE2' ' B' ' 11' ' ' LYS . 86.0 mtt180 -126.18 123.92 39.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.168 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.66 130.05 53.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.335 0.588 . . . . 0.0 110.936 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.16 138.01 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.531 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.26 127.09 22.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.911 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.02 39.12 18.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.437 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.06 0.05 89.16 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.297 -0.724 . . . . 0.0 114.851 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.28 139.25 47.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.775 1.288 . . . . 0.0 111.772 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.37 128.95 33.97 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 mt -86.9 136.59 32.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 111.554 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.25 149.91 21.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.272 0.558 . . . . 0.0 111.992 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.85 -20.01 64.27 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 3.45 70.21 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.069 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.11 165.94 11.34 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.618 0.709 . . . . 0.0 111.278 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -107.53 167.37 9.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.529 0.68 . . . . 0.0 111.951 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.99 -42.95 95.33 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -61.9 -30.28 70.77 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.926 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.516 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -99.87 13.79 32.61 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.12 39.97 20.63 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.01 121.55 34.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -107.49 169.11 8.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.306 0.574 . . . . 0.0 112.063 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -51.14 141.23 14.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.623 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 66.74 23.34 10.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.957 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 m -76.82 148.69 36.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -112.79 124.06 51.72 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.19 157.37 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -112.23 134.11 53.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.17 132.64 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.67 144.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.3 mt -109.84 140.01 44.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.638 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 1.299 ' CG ' ' HA ' ' B' ' 34' ' ' GLU . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.034 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.409 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.0 mm-40 -95.88 142.35 28.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.497 0.665 . . . . 0.0 110.219 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.48 165.41 31.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.295 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.38 139.95 53.42 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.682 0.277 . . . . 0.0 111.291 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.89 123.71 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.02 142.24 31.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.893 0.377 . . . . 0.0 110.524 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.8 166.0 10.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 122.121 0.962 . . . . 0.0 111.1 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.92 -19.58 65.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.61 -1.632 . . . . 0.0 111.23 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.7 p -93.35 -0.04 56.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.84 52.27 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 121.142 -0.551 . . . . 0.0 113.688 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.752 ' HE2' ' NH1' ' A' ' 42' ' ' ARG . 59.4 tttp -90.19 144.91 25.43 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.707 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.1 m -117.91 127.9 54.29 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.59 139.02 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.6 m -105.1 132.01 51.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 mt -127.31 150.3 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.521 0.2 . . . . 0.0 110.545 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.409 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.4 tt0 -100.95 122.18 43.04 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.05 168.0 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.634 0.73 . . . . 0.0 111.885 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.47 150.82 48.7 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.08 -24.26 65.15 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 CA-C-N 120.963 1.38 . . . . 0.0 112.745 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.9 p -85.32 -1.76 57.33 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.4 143.3 51.92 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.489 ' HG1' ' CG ' ' B' ' 25' ' ' ASN . 71.2 p -86.27 157.16 19.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.209 -1.36 . . . . 0.0 109.924 178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.94 -39.74 84.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.294 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -38.38 82.27 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.489 ' CG ' ' HG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.17 -40.04 90.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.91 -43.75 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.88 87.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.356 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.72 -39.01 90.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.13 -44.12 95.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.8 t0 -60.36 -40.52 91.07 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.78 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.76 -40.2 23.02 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 1.299 ' HA ' ' CG ' ' A' ' 72' ' ' ARG . 78.4 mm-40 -110.81 -14.98 13.91 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -174.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.15 82.5 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.113 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 mt -86.4 116.96 67.81 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -58.83 134.83 62.9 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 CA-C-N 120.429 1.189 . . . . 0.0 112.1 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.35 -31.4 22.84 Favored 'Trans proline' 0 N--CA 1.505 2.198 0 C-N-CA 122.628 2.219 . . . . 0.0 114.445 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.05 -16.29 62.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.604 0.638 . . . . 0.0 112.081 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -99.94 1.74 42.98 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.97 139.45 42.57 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -126.19 123.98 39.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.095 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.7 130.11 53.78 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.324 0.583 . . . . 0.0 110.882 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.21 138.07 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -139.31 127.05 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.852 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.99 39.15 18.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.03 0.05 89.14 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.242 -0.755 . . . . 0.0 114.845 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.24 139.21 47.98 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.764 1.282 . . . . 0.0 111.769 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.28 128.96 33.97 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.9 mt -86.98 136.54 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.369 . . . . 0.0 111.521 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.17 149.89 21.6 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.179 0.514 . . . . 0.0 112.053 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.79 -20.02 64.32 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.06 3.46 70.09 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.076 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.08 165.88 11.39 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.632 0.716 . . . . 0.0 111.277 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -107.56 167.35 10.01 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.546 0.689 . . . . 0.0 111.997 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.92 -42.9 94.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.007 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -61.92 -30.29 70.79 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.913 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.07 -29.01 70.01 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.516 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -99.87 13.79 32.6 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.689 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 50.06 39.98 20.38 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.08 121.56 34.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.51 169.09 8.79 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.068 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -51.16 141.24 14.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.599 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.79 23.28 10.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.94 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.0 m -76.77 148.68 36.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -112.87 123.99 51.57 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.13 157.46 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.28 134.07 54.03 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.5 tp -106.21 132.74 51.91 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.71 144.83 28.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.3 mt -109.9 140.0 44.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.61 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.043 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.427 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.0 mm-40 -95.81 142.32 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.439 0.638 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -131.46 165.43 31.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.31 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.41 139.94 53.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.734 0.302 . . . . 0.0 111.313 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.9 123.71 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.03 142.31 31.68 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.884 0.373 . . . . 0.0 110.496 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.79 165.98 10.91 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 122.066 0.936 . . . . 0.0 111.067 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.93 -19.62 65.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.209 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 p -93.36 0.01 56.74 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.56 13.83 52.37 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.686 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -90.1 144.91 25.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.721 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -117.95 127.89 54.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.55 139.0 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -105.16 132.03 51.9 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.5 mt -127.28 150.29 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.556 0.217 . . . . 0.0 110.56 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.4 tt0 -100.93 122.17 43.02 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.05 168.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.616 0.722 . . . . 0.0 111.836 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.5 150.84 48.78 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.2 -24.17 65.62 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 CA-C-N 120.904 1.359 . . . . 0.0 112.702 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 p -85.27 -1.8 57.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -70.45 143.23 51.85 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' A' ' 25' ' ' ASN . 71.4 p -86.27 157.2 19.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.255 -1.339 . . . . 0.0 109.891 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -61.99 -39.7 84.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.323 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -38.27 82.08 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.41 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.2 -40.02 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.97 -43.76 99.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.362 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.76 -39.02 90.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.99 -39.95 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.08 -44.17 94.95 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 53.7 t0 -60.35 -40.54 91.1 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.729 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -81.75 -40.26 22.94 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.77 -14.94 13.93 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 11.11 82.54 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.119 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.47 116.97 67.85 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -58.75 134.77 62.73 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.371 1.168 . . . . 0.0 112.161 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.34 -31.38 22.72 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 122.655 2.237 . . . . 0.0 114.431 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.07 -16.3 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.641 0.655 . . . . 0.0 112.043 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -100.0 1.76 42.83 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -107.92 139.47 42.49 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.742 ' NH1' ' HE2' ' B' ' 11' ' ' LYS . 86.0 mtt180 -126.18 123.92 39.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.168 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.66 130.05 53.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.335 0.588 . . . . 0.0 110.936 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.16 138.01 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.531 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.26 127.09 22.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.911 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.02 39.12 18.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.437 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.06 0.05 89.16 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.297 -0.724 . . . . 0.0 114.851 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.28 139.25 47.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.775 1.288 . . . . 0.0 111.772 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.37 128.95 33.97 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 mt -86.9 136.59 32.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 111.554 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.25 149.91 21.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.272 0.558 . . . . 0.0 111.992 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.85 -20.01 64.27 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 3.45 70.21 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.069 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.11 165.94 11.34 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.618 0.709 . . . . 0.0 111.278 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -107.53 167.37 9.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.529 0.68 . . . . 0.0 111.951 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.99 -42.95 95.33 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -61.9 -30.28 70.77 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.926 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.516 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -99.87 13.79 32.61 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.12 39.97 20.63 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.01 121.55 34.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -107.49 169.11 8.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.306 0.574 . . . . 0.0 112.063 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -51.14 141.23 14.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.623 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 66.74 23.34 10.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.957 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 m -76.82 148.69 36.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -112.79 124.06 51.72 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 67' ' ' LEU . 4.0 mp -105.19 157.37 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -112.23 134.11 53.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.17 132.64 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.67 144.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.3 mt -109.84 140.01 44.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.638 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 1.298 ' C ' ' O ' ' B' ' 34' ' ' GLU . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.034 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.434 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.0 mm-40 -95.88 142.35 28.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.497 0.665 . . . . 0.0 110.219 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.48 165.41 31.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.295 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.38 139.95 53.42 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.682 0.277 . . . . 0.0 111.291 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.89 123.71 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.02 142.24 31.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.893 0.377 . . . . 0.0 110.524 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.8 166.0 10.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 122.121 0.962 . . . . 0.0 111.1 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.92 -19.58 65.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.61 -1.632 . . . . 0.0 111.23 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.7 p -93.35 -0.04 56.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.84 52.27 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 121.142 -0.551 . . . . 0.0 113.688 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.742 ' HE2' ' NH1' ' A' ' 42' ' ' ARG . 59.4 tttp -90.19 144.91 25.43 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.707 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.1 m -117.91 127.9 54.29 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.59 139.02 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.6 m -105.1 132.01 51.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 mt -127.31 150.3 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.521 0.2 . . . . 0.0 110.545 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.434 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.4 tt0 -100.95 122.18 43.04 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.05 168.0 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.634 0.73 . . . . 0.0 111.885 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.47 150.82 48.7 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.08 -24.26 65.15 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 CA-C-N 120.963 1.38 . . . . 0.0 112.745 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.9 p -85.32 -1.76 57.33 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.4 143.3 51.92 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.405 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 71.2 p -86.27 157.16 19.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.209 -1.36 . . . . 0.0 109.924 178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.94 -39.74 84.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.294 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -38.38 82.27 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.405 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.17 -40.04 90.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.91 -43.75 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.88 87.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.356 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.72 -39.01 90.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.13 -44.12 95.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.8 t0 -60.36 -40.52 91.07 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.78 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.76 -40.2 23.02 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 1.298 ' O ' ' C ' ' A' ' 72' ' ' ARG . 78.4 mm-40 -110.81 -14.98 13.91 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -174.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.15 82.5 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.113 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 mt -86.4 116.96 67.81 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -58.83 134.83 62.9 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 CA-C-N 120.429 1.189 . . . . 0.0 112.1 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.35 -31.4 22.84 Favored 'Trans proline' 0 N--CA 1.505 2.198 0 C-N-CA 122.628 2.219 . . . . 0.0 114.445 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.05 -16.29 62.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.604 0.638 . . . . 0.0 112.081 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -99.94 1.74 42.98 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.97 139.45 42.57 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -126.19 123.98 39.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.095 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.7 130.11 53.78 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.324 0.583 . . . . 0.0 110.882 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.21 138.07 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -139.31 127.05 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.852 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.99 39.15 18.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.03 0.05 89.14 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.242 -0.755 . . . . 0.0 114.845 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.24 139.21 47.98 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.764 1.282 . . . . 0.0 111.769 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.28 128.96 33.97 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.9 mt -86.98 136.54 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.369 . . . . 0.0 111.521 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.17 149.89 21.6 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.179 0.514 . . . . 0.0 112.053 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.79 -20.02 64.32 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.06 3.46 70.09 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.076 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.08 165.88 11.39 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.632 0.716 . . . . 0.0 111.277 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -107.56 167.35 10.01 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.546 0.689 . . . . 0.0 111.997 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.92 -42.9 94.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.007 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -61.92 -30.29 70.79 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.913 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.07 -29.01 70.01 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.516 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -99.87 13.79 32.6 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.689 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 50.06 39.98 20.38 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.08 121.56 34.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.51 169.09 8.79 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.068 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -51.16 141.24 14.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.599 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.79 23.28 10.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.94 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.0 m -76.77 148.68 36.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -112.87 123.99 51.57 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.414 ' N ' HD12 ' B' ' 67' ' ' LEU . 4.0 mp -105.13 157.46 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.28 134.07 54.03 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.5 tp -106.21 132.74 51.91 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.71 144.83 28.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.3 mt -109.9 140.0 44.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.61 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.043 -179.908 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.427 HE22 ' HB2' ' A' ' 16' ' ' GLU . 67.0 mm-40 -95.81 142.32 28.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.439 0.638 . . . . 0.0 110.24 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.1 pt -131.46 165.43 31.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.31 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.41 139.94 53.42 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 120.734 0.302 . . . . 0.0 111.313 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.4 t -122.9 123.71 68.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.03 142.31 31.68 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.884 0.373 . . . . 0.0 110.496 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.79 165.98 10.91 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 122.066 0.936 . . . . 0.0 111.067 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.93 -19.62 65.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.629 -1.623 . . . . 0.0 111.209 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.8 p -93.36 0.01 56.74 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.56 13.83 52.37 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.146 -0.55 . . . . 0.0 113.686 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -90.1 144.91 25.46 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.125 -0.63 . . . . 0.0 109.721 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 94.2 m -117.95 127.89 54.28 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.55 139.0 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -105.16 132.03 51.9 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.5 mt -127.28 150.29 49.64 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.556 0.217 . . . . 0.0 110.56 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.427 ' HB2' HE22 ' A' ' 2' ' ' GLN . 86.4 tt0 -100.93 122.17 43.02 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 176.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -140.05 168.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 121.616 0.722 . . . . 0.0 111.836 -178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.5 150.84 48.78 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.2 -24.17 65.62 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 CA-C-N 120.904 1.359 . . . . 0.0 112.702 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 p -85.27 -1.8 57.35 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -70.45 143.23 51.85 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' A' ' 25' ' ' ASN . 71.4 p -86.27 157.2 19.99 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.255 -1.339 . . . . 0.0 109.891 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.1 mm -61.99 -39.7 84.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.323 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.99 -38.27 82.08 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.41 ' OD1' ' OG1' ' A' ' 22' ' ' THR . 7.4 m-20 -66.2 -40.02 90.07 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.7 t -62.97 -43.76 99.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.6 mttm -60.01 -39.98 87.66 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.79 87.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.362 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.76 -39.02 90.64 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.99 -39.95 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -60.08 -44.17 94.95 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 32' ' ' ASP . 53.7 t0 -60.35 -40.54 91.1 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.729 -178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -81.75 -40.26 22.94 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.363 1.246 . . . . 0.0 114.363 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -110.77 -14.94 13.93 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 116.322 1.971 . . . . 0.0 116.322 -174.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 11.11 82.54 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 120.923 -0.656 . . . . 0.0 113.119 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.7 mt -86.47 116.97 67.85 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -58.75 134.77 62.73 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 CA-C-N 120.371 1.168 . . . . 0.0 112.161 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -49.34 -31.38 22.72 Favored 'Trans proline' 0 N--CA 1.505 2.166 0 C-N-CA 122.655 2.237 . . . . 0.0 114.431 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.07 -16.3 62.58 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 118.641 0.655 . . . . 0.0 112.043 -178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -100.0 1.76 42.83 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -107.92 139.47 42.49 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.742 ' NH1' ' HE2' ' B' ' 11' ' ' LYS . 86.0 mtt180 -126.18 123.92 39.32 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.168 176.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.66 130.05 53.76 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.335 0.588 . . . . 0.0 110.936 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.16 138.01 54.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.531 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 94.1 t80 -139.26 127.09 22.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.911 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 50.02 39.12 18.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.437 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.06 0.05 89.16 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-O 119.297 -0.724 . . . . 0.0 114.851 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.28 139.25 47.98 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 118.775 1.288 . . . . 0.0 111.772 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -79.37 128.95 33.97 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 46.7 mt -86.9 136.59 32.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 111.554 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.25 149.91 21.56 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.272 0.558 . . . . 0.0 111.992 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.85 -20.01 64.27 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 -177.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.02 3.45 70.21 Favored Glycine 0 CA--C 1.537 1.439 0 C-N-CA 121.15 -0.548 . . . . 0.0 113.069 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.11 165.94 11.34 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 117.618 0.709 . . . . 0.0 111.278 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.1 p -107.53 167.37 9.99 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 121.529 0.68 . . . . 0.0 111.951 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.99 -42.95 95.33 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 114.822 -1.081 . . . . 0.0 110.934 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 83.5 p -61.9 -30.28 70.77 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 119.678 -0.809 . . . . 0.0 111.926 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.05 -29.04 70.02 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.516 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -99.87 13.79 32.61 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.672 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 50.12 39.97 20.63 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.01 121.55 34.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -107.49 169.11 8.78 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.306 0.574 . . . . 0.0 112.063 -177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -51.14 141.23 14.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.623 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 66.74 23.34 10.16 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.957 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.1 m -76.82 148.69 36.42 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -112.79 124.06 51.72 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' ' 67' ' ' LEU . 4.0 mp -105.19 157.37 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m80 -112.23 134.11 53.96 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.6 tp -106.17 132.64 51.99 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.67 144.83 28.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.3 mt -109.84 140.01 44.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.638 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 1.298 ' C ' ' O ' ' B' ' 34' ' ' GLU . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.268 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.034 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ptt? . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.434 HE22 ' HB2' ' B' ' 16' ' ' GLU . 67.0 mm-40 -95.88 142.35 28.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.497 0.665 . . . . 0.0 110.219 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.2 pt -131.48 165.41 31.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 114.927 -1.033 . . . . 0.0 108.295 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -124.38 139.95 53.42 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.682 0.277 . . . . 0.0 111.291 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.89 123.71 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -100.02 142.24 31.77 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.893 0.377 . . . . 0.0 110.524 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.3 p -101.8 166.0 10.9 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 122.121 0.962 . . . . 0.0 111.1 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 86.3 mt -63.92 -19.58 65.22 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 113.61 -1.632 . . . . 0.0 111.23 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 43.7 p -93.35 -0.04 56.75 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -178.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.84 52.27 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 121.142 -0.551 . . . . 0.0 113.688 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.742 ' HE2' ' NH1' ' A' ' 42' ' ' ARG . 59.4 tttp -90.19 144.91 25.43 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.707 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 94.1 m -117.91 127.9 54.29 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mt -111.59 139.02 37.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.6 m -105.1 132.01 51.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.9 mt -127.31 150.3 49.64 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.521 0.2 . . . . 0.0 110.545 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.434 ' HB2' HE22 ' B' ' 2' ' ' GLN . 86.4 tt0 -100.95 122.18 43.04 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 106.321 -1.733 . . . . 0.0 106.321 176.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -140.05 168.0 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.634 0.73 . . . . 0.0 111.885 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -118.47 150.82 48.7 Favored Pre-proline 0 CA--C 1.533 0.296 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.08 -24.26 65.15 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 CA-C-N 120.963 1.38 . . . . 0.0 112.745 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 20.9 p -85.32 -1.76 57.33 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.4 143.3 51.92 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.405 ' OG1' ' OD1' ' B' ' 25' ' ' ASN . 71.2 p -86.27 157.16 19.99 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 114.209 -1.36 . . . . 0.0 109.924 178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -61.94 -39.74 84.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.294 178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.95 -38.38 82.27 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.405 ' OD1' ' OG1' ' B' ' 22' ' ' THR . 7.4 m-20 -66.17 -40.04 90.21 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.91 -43.75 99.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -60.04 -39.93 87.64 Favored 'General case' 0 C--N 1.341 0.229 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -37.88 87.54 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.356 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.72 -39.01 90.74 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.2 mt -64.96 -39.98 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 177.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -60.13 -44.12 95.17 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 32' ' ' ASP . 53.8 t0 -60.36 -40.52 91.07 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.78 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -81.76 -40.2 23.02 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 1.298 ' O ' ' C ' ' A' ' 72' ' ' ARG . 78.4 mm-40 -110.81 -14.98 13.91 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -174.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.42 11.15 82.5 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 120.981 -0.628 . . . . 0.0 113.113 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 mt -86.4 116.96 67.81 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -58.83 134.83 62.9 Favored 'Trans proline' 0 N--CA 1.497 1.702 0 CA-C-N 120.429 1.189 . . . . 0.0 112.1 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.35 -31.4 22.84 Favored 'Trans proline' 0 N--CA 1.505 2.198 0 C-N-CA 122.628 2.219 . . . . 0.0 114.445 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -71.05 -16.29 62.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 118.604 0.638 . . . . 0.0 112.081 -178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -99.94 1.74 42.98 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -107.97 139.45 42.57 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -126.19 123.98 39.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.095 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.6 mt -105.7 130.11 53.78 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.324 0.583 . . . . 0.0 110.882 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.5 mp -123.21 138.07 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.552 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 94.2 t80 -139.31 127.05 21.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.852 177.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 49.99 39.15 18.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.442 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.03 0.05 89.14 Favored Glycine 0 CA--C 1.533 1.162 0 CA-C-O 119.242 -0.755 . . . . 0.0 114.845 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -112.24 139.21 47.98 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.764 1.282 . . . . 0.0 111.769 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -79.28 128.96 33.97 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 46.9 mt -86.98 136.54 32.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.876 0.369 . . . . 0.0 111.521 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -91.17 149.89 21.6 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.179 0.514 . . . . 0.0 112.053 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.79 -20.02 64.32 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -177.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -94.06 3.46 70.09 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.076 -179.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 68.7 mmt-85 -110.08 165.88 11.39 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 117.632 0.716 . . . . 0.0 111.277 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 71.2 p -107.56 167.35 10.01 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-O 121.546 0.689 . . . . 0.0 111.997 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.92 -42.9 94.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.007 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.9 p -61.92 -30.29 70.79 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.625 -0.83 . . . . 0.0 111.913 -178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.07 -29.01 70.01 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.516 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -99.87 13.79 32.6 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.689 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 50.06 39.98 20.38 Favored 'General case' 0 C--O 1.231 0.122 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 91.1 mt -81.08 121.56 34.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -107.51 169.09 8.79 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.287 0.565 . . . . 0.0 112.068 -177.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -51.16 141.24 14.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.599 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 66.79 23.28 10.11 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.94 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 37.0 m -76.77 148.68 36.52 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 176.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 94.1 m -112.87 123.99 51.57 Favored 'General case' 0 N--CA 1.462 0.15 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.414 ' N ' HD12 ' B' ' 67' ' ' LEU . 4.0 mp -105.13 157.46 17.25 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 107.606 -1.257 . . . . 0.0 107.606 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.28 134.07 54.03 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 26.5 tp -106.21 132.74 51.91 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.71 144.83 28.35 Favored 'Isoleucine or valine' 0 C--N 1.344 0.343 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 41.3 mt -109.9 140.0 44.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.61 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 . . . . . 0 N--CA 1.464 0.253 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.043 -179.908 . . . . . . . . 0 0 . 1 stop_ save_