data_1n6v_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 1n6v _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.825 0.345 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.64 166.17 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 45.55 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.69 166.13 45.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.45 145.26 29.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.528 2.152 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.85 95.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -69.89 73.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.5 m -89.09 51.56 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' A' ' 32' ' ' HIS . 3.2 p30 -134.69 13.55 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.301 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 174.19 63.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -26.98 9.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.288 0.566 . . . . 0.0 110.477 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m 38.4 34.6 0.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.417 178.556 -97.108 -145.046 81.597 104.277 2.033 103.449 145.161 -78.164 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.9 m -99.09 126.5 44.85 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.741 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -117.03 150.65 38.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.085 0.469 . . . . 0.0 111.054 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -135.68 142.5 45.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.225 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.5 ' CD1' ' CZ3' ' A' ' 72' ' ' TRP . 5.3 tt -116.93 138.84 46.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.996 0.426 . . . . 0.0 110.486 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.83 140.4 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.621 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HG ' ' HA ' ' A' ' 21' ' ' PHE . 3.4 tp -105.18 102.08 11.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.693 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HG3' ' HB3' ' A' ' 109' ' ' PRO . 1.0 OUTLIER -100.91 114.4 28.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.633 178.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.645 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 57.7 m-20 55.1 47.14 22.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.663 ' CD1' ' HG2' ' A' ' 128' ' ' PRO . 50.1 p90 53.61 36.82 24.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.338 -178.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 18' ' ' LEU . 21.7 mtt180 -117.97 133.74 55.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.716 ' HB3' ' O ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -88.14 139.46 30.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.103 -0.639 . . . . 0.0 111.288 -177.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.681 ' HA ' HD21 ' A' ' 68' ' ' LEU . 4.2 mp -147.83 119.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD21 HG23 ' A' ' 81' ' ' THR . 1.9 pp -114.93 141.7 47.6 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.465 0.65 . . . . 0.0 110.764 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -123.2 -178.42 3.97 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.081 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.719 ' CZ2' ' HA ' ' A' ' 64' ' ' SER . 2.7 p90 -142.0 157.8 44.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.927 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 13' ' ' THR . 1.2 tp10 -132.71 79.59 1.85 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.462 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -100.1 101.05 12.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.012 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.37 158.26 9.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.527 -179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.82 127.67 55.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.948 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 9' ' ' ASP . 1.1 t60 -120.31 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.357 . . . . 0.0 110.966 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -100.75 -67.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.5 mt -78.65 150.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -114.56 90.07 20.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.858 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.99 133.41 16.57 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.611 2.207 . . . . 0.0 111.582 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' ' 38' ' ' HIS . 6.1 t -105.7 -54.36 2.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.759 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.615 ' HA ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -90.65 145.39 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.461 0.648 . . . . 0.0 112.13 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 60' ' ' ASN . 62.8 m-85 -131.75 173.67 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.203 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.588 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 1.5 m -139.92 105.43 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.31 0.576 . . . . 0.0 110.205 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -75.94 106.39 7.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.411 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' O ' HG22 ' A' ' 81' ' ' THR . 0.2 OUTLIER -107.36 136.93 46.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.728 ' CB ' HG21 ' A' ' 81' ' ' THR . 6.7 p90 -140.71 157.16 45.83 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.557 ' HB ' ' HA ' ' A' ' 52' ' ' LEU . 8.8 t -159.62 -173.48 4.15 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.302 177.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -118.04 127.94 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.032 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.645 ' N ' HG22 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -36.6 -43.53 0.41 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.843 -177.36 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 t -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 45' ' ' ILE . 55.5 mttt -132.65 75.9 72.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.356 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 46' ' ' MET . 59.1 Cg_endo -71.44 -7.02 20.41 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.632 2.222 . . . . 0.0 113.033 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -90.0 -1.0 57.89 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -111.7 55.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.325 . . . . 0.0 111.421 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.557 ' HA ' ' HB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -86.01 145.61 27.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.521 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -132.31 134.35 45.13 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.621 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 0.7 OUTLIER -83.13 94.52 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.224 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.427 ' CG2' ' CD2' ' A' ' 43' ' ' TYR . 21.3 t -54.09 136.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 34.4 mtpt -61.01 136.94 58.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.26 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 48.8 t30 79.95 -9.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.243 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 40' ' ' THR . 97.4 m -113.4 1.25 15.03 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.58 0.228 . . . . 0.0 110.983 179.54 -65.316 -153.092 85.211 104.84 2.032 104.312 92.483 166.166 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.732 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -90.85 155.69 18.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.732 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER 13.08 75.49 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 108.535 -178.446 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 3.9 t -123.7 131.77 53.68 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.434 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -94.38 63.21 2.99 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 124.284 1.993 . . . . 0.0 108.37 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.411 ' O ' ' HZ2' ' A' ' 27' ' ' TRP . 13.7 mtt180 -147.11 175.13 10.95 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 109.851 -3.341 . . . . 0.0 106.59 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.719 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 44.0 p -119.13 -69.79 0.83 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.472 1.033 . . . . 0.0 112.451 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 22.7 p90 -68.76 113.69 6.44 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.2 t -98.07 146.25 25.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.167 178.888 166.166 92.483 85.211 104.312 2.032 104.84 -153.092 -65.316 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 24' ' ' ILE . 33.9 p-10 -101.48 169.31 8.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.716 ' O ' ' HB3' ' A' ' 23' ' ' SER . 0.3 OUTLIER -171.49 88.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.848 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.1 m -86.07 -49.29 7.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.491 -0.755 . . . . 0.0 110.915 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.98 12.26 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.091 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -20.29 21.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.348 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.956 ' HA ' ' CZ ' ' A' ' 79' ' ' TYR . 12.8 m0 -121.18 50.01 1.43 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.142 0.496 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -68.24 -9.65 48.8 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.964 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.77 56.98 1.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 75.1 p -55.05 -24.97 27.6 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.986 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -92.54 27.37 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.709 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -144.08 166.48 24.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.47 0.652 . . . . 0.0 110.636 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.531 ' HA ' ' O ' ' A' ' 99' ' ' PHE . . . -99.69 94.57 6.43 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.433 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.956 ' CZ ' ' HA ' ' A' ' 72' ' ' TRP . 1.4 m-85 -59.51 88.47 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.143 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.645 HG22 ' N ' ' A' ' 46' ' ' MET . 0.0 OUTLIER -67.77 125.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.728 HG21 ' CB ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.3 138.49 54.61 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.767 -177.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.501 ' O ' ' HB2' ' A' ' 42' ' ' LEU . 76.8 t -119.42 99.72 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.591 HD21 ' CG ' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -90.6 108.7 19.97 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.317 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.633 ' CG ' ' HB3' ' A' ' 94' ' ' SER . 7.4 mt-10 -99.07 113.96 26.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.3 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.759 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -110.57 124.69 7.13 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.706 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.543 ' CD2' ' CG2' ' A' ' 91' ' ' THR . 0.8 OUTLIER -99.8 130.28 45.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 90' ' ' THR . 0.7 OUTLIER -79.18 99.16 6.88 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' O ' ' CE1' ' A' ' 38' ' ' HIS . . . 77.03 -91.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.847 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -121.86 -6.36 9.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 111.361 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 87' ' ' SER . 1.8 m -110.8 151.86 27.31 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.543 ' CG2' ' CD2' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -78.88 125.11 28.94 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' A' ' 93' ' ' PHE . 1.5 tp -110.82 -19.99 12.63 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.526 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.759 ' CZ ' ' HA3' ' A' ' 85' ' ' GLY . 8.4 p90 -169.26 167.66 10.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.849 0.833 . . . . 0.0 112.545 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.633 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -160.52 94.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.627 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . 0.45 ' CB ' ' HZ ' ' A' ' 14' ' ' PHE . 34.0 m -115.28 150.77 35.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.815 -178.773 -78.164 145.161 81.597 103.449 2.033 104.277 -145.046 -97.108 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 81' ' ' THR . 11.4 p -129.82 168.91 15.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.034 0.445 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -165.79 136.4 3.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -82.49 95.9 7.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 4.0 m-85 -70.35 114.48 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.477 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -93.9 81.34 4.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -66.81 -64.05 0.93 Allowed 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.409 ' O ' ' CD2' ' A' ' 187' ' ' HIS . . . -39.78 -33.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.361 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.445 HD12 ' CE3' ' A' ' 100' ' ' TRP . 1.5 mp -101.25 -24.03 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 39.0 t0 -101.76 -53.2 3.02 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.454 ' C ' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER 28.93 88.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.172 0.295 . . . . 0.0 111.56 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 18' ' ' LEU . 9.8 m -87.46 111.0 20.71 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.78 0.324 . . . . 0.0 111.117 -179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.42 ' HD1' ' HG2' ' A' ' 110' ' ' PRO . 0.4 OUTLIER -113.41 130.82 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.995 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.498 ' C ' ' HD2' ' A' ' 110' ' ' PRO . 1.1 tt0 -158.53 -59.03 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . 0.482 ' HD2' ' H ' ' A' ' 108' ' ' GLU . 52.5 Cg_exo -34.0 -48.51 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.443 2.762 . . . . 0.0 114.693 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.498 ' HD2' ' C ' ' A' ' 108' ' ' GLU . 33.8 Cg_exo -33.66 153.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.813 2.342 . . . . 0.0 113.574 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -85.99 150.96 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 199' ' ' LYS . 0.5 OUTLIER -165.02 136.13 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.757 0.789 . . . . 0.0 111.946 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.473 ' HA ' ' CD ' ' A' ' 199' ' ' LYS . 78.1 mm-40 -139.77 167.85 21.17 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.814 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.607 ' CG1' ' HG2' ' A' ' 199' ' ' LYS . 1.0 OUTLIER -151.65 115.99 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.639 -179.593 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 29.0 t -101.04 128.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.487 ' CA ' ' OH ' ' A' ' 179' ' ' TYR . . . -106.62 129.94 9.95 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.647 -1.263 . . . . 0.0 113.607 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.462 ' CB ' ' CE1' ' A' ' 120' ' ' HIS . 7.3 m-85 -96.87 154.93 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.735 ' OG1' ' HG3' ' A' ' 204' ' ' PRO . 2.5 m -41.27 -40.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.53 14.63 11.09 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . 0.462 ' CE1' ' CB ' ' A' ' 117' ' ' PHE . 10.9 p-80 -161.9 173.72 14.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.493 0.588 . . . . 0.0 112.012 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . 0.557 HD11 ' HB ' ' A' ' 170' ' ' ILE . 7.0 mt -121.1 137.59 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 2.4 m120 -118.21 97.21 5.67 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.557 ' HA ' HG23 ' A' ' 114' ' ' ILE . 41.9 t -98.55 134.68 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.17 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.648 ' HG3' ' O ' ' A' ' 166' ' ' PHE . 3.9 tpp -133.83 111.65 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.528 ' O ' ' HB2' ' A' ' 166' ' ' PHE . 16.0 t -99.38 113.58 34.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.498 0.666 . . . . 0.0 109.424 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.519 ' HB2' ' HB3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -87.06 85.89 7.27 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -175.55 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.483 ' CG ' ' HG2' ' A' ' 162' ' ' MET . 43.0 m-85 -88.56 151.93 48.77 Favored Pre-proline 0 N--CA 1.462 0.145 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.663 ' HG2' ' CD1' ' A' ' 21' ' ' PHE . 10.6 Cg_endo -51.23 154.7 7.57 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.795 2.33 . . . . 0.0 112.718 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 p -76.21 100.43 5.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 163' ' ' SER . 0.0 OUTLIER -139.58 144.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.267 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 21.8 t -94.27 96.24 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.421 . . . . 0.0 110.53 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 135' ' ' LEU . 14.5 pt-20 -40.99 -25.86 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.675 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -57.03 -11.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.091 179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -132.91 27.15 4.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.441 ' CG ' ' HB2' ' A' ' 137' ' ' PHE . 1.0 OUTLIER -103.99 125.07 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.613 -179.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -85.4 5.25 31.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 111.764 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.441 ' HB2' ' CG ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -74.1 169.38 17.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 0.0 111.514 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.83 34.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.634 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.43 ' O ' HD21 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -110.72 157.47 19.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.886 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.536 ' HA ' HG13 ' A' ' 158' ' ' ILE . 38.4 m -111.62 -179.86 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.429 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.442 ' N ' HG13 ' A' ' 158' ' ' ILE . 2.1 tm? -123.55 145.49 48.84 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 154' ' ' HIS . 9.5 t -120.32 110.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.845 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ILE . . . . . 0.63 ' O ' ' HB2' ' A' ' 154' ' ' HIS . 0.0 OUTLIER -89.55 99.0 8.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.771 178.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.532 ' O ' ' HA ' ' A' ' 181' ' ' VAL . 3.7 mt-10 -84.95 122.8 29.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.857 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.505 ' HG3' ' CD1' ' A' ' 170' ' ' ILE . 0.2 OUTLIER -106.0 109.23 21.11 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.508 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.601 ' O ' ' HA ' ' A' ' 179' ' ' TYR . 0.9 OUTLIER -110.0 68.29 0.67 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . 0.673 ' CB ' ' HB3' ' A' ' 179' ' ' TYR . 1.2 p -89.33 130.2 35.75 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 41.44 42.93 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.135 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.11 72.59 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.951 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ILE . . . . . 0.593 ' O ' ' HA ' ' A' ' 146' ' ' GLN . 0.2 OUTLIER -92.79 119.87 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 117.191 0.496 . . . . 0.0 109.981 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' VAL . . . . . . . . . . . . . 12.9 t -98.53 136.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -144.94 159.98 42.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' LYS . . . . . 0.52 ' HA ' ' HG2' ' A' ' 144' ' ' GLU . 22.6 pttt -131.27 100.9 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.107 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' HIS . . . . . 0.63 ' HB2' ' O ' ' A' ' 143' ' ' ILE . 96.9 m-70 -88.25 144.64 26.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.583 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.3 69.79 54.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.31 0.576 . . . . 0.0 110.735 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PRO . . . . . 0.527 ' HD2' ' CD1' ' A' ' 143' ' ' ILE . 37.1 Cg_exo -61.74 150.31 86.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.701 2.934 . . . . 0.0 112.993 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.94 119.04 8.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ILE . . . . . 0.536 HG13 ' HA ' ' A' ' 140' ' ' SER . 4.9 mm -91.07 18.21 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.787 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -69.81 67.2 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 109.976 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 109.88 14.57 13.47 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASN . . . . . 0.547 ' CB ' ' CE2' ' A' ' 166' ' ' PHE . 1.3 m120 -103.48 -17.99 14.98 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 120.774 0.321 . . . . 0.0 111.311 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 127' ' ' PHE . 4.9 mtt -93.17 41.48 1.08 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.982 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 79.8 p -130.97 33.49 4.18 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 127' ' ' PHE . . . 146.58 -131.87 4.2 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.746 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 75.95 10.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.648 ' O ' ' HG3' ' A' ' 124' ' ' MET . 1.6 t80 -42.97 136.14 2.83 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' THR . . . . . 0.542 ' CG2' ' SD ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -124.1 104.74 9.04 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.189 -0.604 . . . . 0.0 112.503 -177.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.519 ' CE2' ' HG3' ' A' ' 156' ' ' PRO . 3.5 t80 -124.94 143.42 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.492 HG23 HD12 ' A' ' 169' ' ' ILE . 33.6 mm -124.52 114.86 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.848 0.356 . . . . 0.0 111.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ILE . . . . . 0.557 ' HB ' HD11 ' A' ' 121' ' ' ILE . 0.5 OUTLIER -89.92 103.67 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -110.69 -165.7 1.02 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.533 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 21.7 mttm 66.35 42.13 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.713 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.02 158.74 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.083 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 41.3 pt -101.6 150.25 37.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.548 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -38.7 156.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.956 2.437 . . . . 0.0 112.986 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ASN . . . . . 0.533 ' HB2' ' CB ' ' A' ' 205' ' ' PRO . 15.3 t30 64.67 67.96 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.326 0.584 . . . . 0.0 110.485 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' THR . . . . . 0.469 ' C ' HD13 ' A' ' 202' ' ' LEU . 0.2 OUTLIER -132.49 78.78 1.82 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.665 -178.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.56 ' N ' ' CD1' ' A' ' 202' ' ' LEU . 9.8 p30 -76.47 109.25 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' TYR . . . . . 0.673 ' HB3' ' CB ' ' A' ' 147' ' ' SER . 11.9 p90 -114.54 136.14 53.35 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' CYS . . . . . 0.53 ' HB3' ' CB ' ' A' ' 198' ' ' LEU . 1.2 m -92.84 107.03 18.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.384 -98.319 58.749 -118.259 103.97 2.035 104.542 73.607 -102.021 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 144' ' ' GLU . 39.3 t -97.34 118.04 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.437 ' HB2' HD21 ' A' ' 198' ' ' LEU . 33.2 t -100.31 164.1 12.09 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.177 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 18.9 t -130.47 76.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.16 -178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' TYR . . . . . 0.587 ' HB3' ' HA ' ' A' ' 195' ' ' LYS . 1.5 p90 -108.53 143.83 37.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.817 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.9 pp -89.76 166.44 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 111.984 -179.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -143.07 124.77 14.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.888 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 102' ' ' ALA . 2.4 t-80 -94.44 -49.38 5.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.79 39.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.3 165.56 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 111.318 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -100.86 26.78 6.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -119.6 -8.56 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -95.21 42.71 1.09 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' VAL . . . . . 0.427 HG13 ' CE2' ' A' ' 184' ' ' TYR . 0.0 OUTLIER -89.02 86.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ILE . . . . . 0.44 ' N ' ' HB2' ' A' ' 184' ' ' TYR . 7.3 mm -82.66 60.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LYS . . . . . 0.587 ' HA ' ' HB3' ' A' ' 184' ' ' TYR . 18.7 ttmt -71.56 96.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.818 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' SER . . . . . . . . . . . . . 4.7 p -68.35 163.54 51.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.507 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.21 107.63 0.17 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.702 . . . . 0.0 110.565 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' LEU . . . . . 0.53 ' CB ' ' HB3' ' A' ' 180' ' ' CYS . 1.0 OUTLIER -49.87 174.84 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 122.936 1.35 . . . . 0.0 113.292 -177.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' LYS . . . . . 0.607 ' HG2' ' CG1' ' A' ' 114' ' ' ILE . 0.0 OUTLIER -126.79 110.8 13.49 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 111.949 -2.387 . . . . 0.0 106.786 177.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' ' 179' ' ' TYR . 0.9 OUTLIER -94.19 77.68 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.124 -177.649 -102.021 73.607 -118.259 104.542 2.035 103.97 58.749 -98.319 3 3 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' THR . . . . . 0.608 HG22 ' O ' ' A' ' 201' ' ' THR . 0.5 OUTLIER -92.31 121.84 34.2 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.57 ' CD1' ' H ' ' A' ' 203' ' ' LEU . 9.3 tp -94.94 168.87 10.52 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.144 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' LEU . . . . . 0.601 ' O ' ' HD3' ' A' ' 205' ' ' PRO . 0.0 OUTLIER -116.84 163.45 22.63 Favored Pre-proline 0 CA--C 1.507 -0.675 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.457 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' PRO . . . . . 0.735 ' HG3' ' OG1' ' A' ' 118' ' ' THR . 36.5 Cg_endo -55.44 103.23 0.1 Allowed 'Trans proline' 0 CA--C 1.513 -0.568 0 N-CA-C 107.712 -1.688 . . . . 0.0 107.712 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' A' ' 203' ' ' LEU . 55.6 Cg_endo -63.69 119.37 6.4 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 121.453 1.435 . . . . 0.0 111.752 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -80.47 26.37 3.08 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 113.439 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -92.27 38.02 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.023 0.412 . . . . 0.0 111.165 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.65 -159.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' SER . . . . . 0.404 ' OG ' ' CE2' ' A' ' 211' ' ' PHE . 52.8 p -56.92 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.075 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 211' ' ' PHE . 5.6 pt-20 -153.58 113.63 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 210' ' ' GLU . 10.0 m-85 -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.825 0.345 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.64 166.17 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 45.55 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.69 166.13 45.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.45 145.26 29.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.528 2.152 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.85 95.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -69.89 73.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' HD2' ' A' ' 30' ' ' LYS . 81.5 m -89.09 51.56 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 32' ' ' HIS . 3.2 p30 -134.69 13.55 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.301 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 174.19 63.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -26.98 9.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.288 0.566 . . . . 0.0 110.477 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m 38.4 34.6 0.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.417 178.556 -97.108 -145.046 81.597 104.277 2.033 103.449 145.161 -78.164 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.9 m -99.09 126.5 44.85 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.741 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.75 ' HE2' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -117.03 150.65 38.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.085 0.469 . . . . 0.0 111.054 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -135.68 142.5 45.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.225 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 68' ' ' LEU . 5.3 tt -116.93 138.84 46.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.996 0.426 . . . . 0.0 110.486 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.83 140.4 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.621 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 22' ' ' ARG . 3.4 tp -105.18 102.08 11.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.693 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG3' ' HB3' ' A' ' 109' ' ' PRO . 1.0 OUTLIER -100.91 114.4 28.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.633 178.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.645 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 57.7 m-20 55.1 47.14 22.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.694 ' CD1' ' HG2' ' A' ' 128' ' ' PRO . 50.1 p90 53.61 36.82 24.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.338 -178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.805 ' O ' HD12 ' A' ' 18' ' ' LEU . 21.7 mtt180 -117.97 133.74 55.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.731 ' HB3' ' O ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -88.14 139.46 30.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.103 -0.639 . . . . 0.0 111.288 -177.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 67' ' ' ASP . 4.2 mp -147.83 119.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.944 HD11 HD21 ' A' ' 41' ' ' LEU . 1.9 pp -114.93 141.7 47.6 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.465 0.65 . . . . 0.0 110.764 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.571 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -123.2 -178.42 3.97 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.081 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.921 ' CE3' HD13 ' A' ' 83' ' ' LEU . 2.7 p90 -142.0 157.8 44.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.927 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 13' ' ' THR . 1.2 tp10 -132.71 79.59 1.85 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.462 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -100.1 101.05 12.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.012 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.71 ' HD2' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -59.37 158.26 9.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.527 -179.173 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.82 127.67 55.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.948 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 9' ' ' ASP . 1.1 t60 -120.31 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.357 . . . . 0.0 110.966 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -100.75 -67.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 HG22 ' OG ' ' A' ' 87' ' ' SER . 8.5 mt -78.65 150.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -114.56 90.07 20.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.858 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.99 133.41 16.57 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.611 2.207 . . . . 0.0 111.582 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 38' ' ' HIS . 6.1 t -105.7 -54.36 2.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.759 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HA ' ' O ' ' A' ' 61' ' ' THR . 0.5 OUTLIER -90.65 145.39 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.461 0.648 . . . . 0.0 112.13 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE1' HD23 ' A' ' 29' ' ' LEU . 62.8 m-85 -131.75 173.67 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.203 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 1.5 m -139.92 105.43 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.31 0.576 . . . . 0.0 110.205 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.944 HD21 HD11 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -75.94 106.39 7.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.411 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -107.36 136.93 46.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.718 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.7 p90 -140.71 157.16 45.83 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 1.067 HG23 HG23 ' A' ' 80' ' ' VAL . 8.8 t -159.62 -173.48 4.15 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.302 177.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -118.04 127.94 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.032 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.744 ' HG2' ' HB3' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -36.6 -43.53 0.41 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.843 -177.36 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 t -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ILE . 55.5 mttt -132.65 75.9 72.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.356 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 46' ' ' MET . 59.1 Cg_endo -71.44 -7.02 20.41 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.632 2.222 . . . . 0.0 113.033 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -90.0 -1.0 57.89 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -111.7 55.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.325 . . . . 0.0 111.421 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.718 HD23 ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -86.01 145.61 27.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.521 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -132.31 134.35 45.13 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.811 HG12 ' CD2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -83.13 94.52 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.224 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG22 ' HE2' ' A' ' 43' ' ' TYR . 21.3 t -54.09 136.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 34.4 mtpt -61.01 136.94 58.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.26 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 48.8 t30 79.95 -9.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.243 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 40' ' ' THR . 97.4 m -113.4 1.25 15.03 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.58 0.228 . . . . 0.0 110.983 179.54 -65.316 -153.092 85.211 104.84 2.032 104.312 92.483 166.166 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.732 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -90.85 155.69 18.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.732 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER 13.08 75.49 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 108.535 -178.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 3.9 t -123.7 131.77 53.68 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.434 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -94.38 63.21 2.99 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 124.284 1.993 . . . . 0.0 108.37 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' ' HZ2' ' A' ' 27' ' ' TRP . 13.7 mtt180 -147.11 175.13 10.95 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 109.851 -3.341 . . . . 0.0 106.59 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.739 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 44.0 p -119.13 -69.79 0.83 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.472 1.033 . . . . 0.0 112.451 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 22.7 p90 -68.76 113.69 6.44 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.2 t -98.07 146.25 25.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.167 178.888 166.166 92.483 85.211 104.312 2.032 104.84 -153.092 -65.316 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.743 ' C ' HD23 ' A' ' 68' ' ' LEU . 33.9 p-10 -101.48 169.31 8.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -171.49 88.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.848 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 22' ' ' ARG . 5.1 m -86.07 -49.29 7.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.491 -0.755 . . . . 0.0 110.915 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.98 12.26 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.091 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -20.29 21.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.348 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.975 ' HA ' ' CZ ' ' A' ' 79' ' ' TYR . 12.8 m0 -121.18 50.01 1.43 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.142 0.496 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -68.24 -9.65 48.8 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.964 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.411 ' HB2' ' HB2' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -78.77 56.98 1.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.215 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.86 ' O ' ' HB2' ' A' ' 102' ' ' ALA . 75.1 p -55.05 -24.97 27.6 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.986 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -92.54 27.37 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.709 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HB3' HG22 ' A' ' 45' ' ' ILE . 49.3 mm-40 -144.08 166.48 24.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.47 0.652 . . . . 0.0 110.636 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.744 ' HB3' ' HG2' ' A' ' 46' ' ' MET . . . -99.69 94.57 6.43 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.433 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.975 ' CZ ' ' HA ' ' A' ' 72' ' ' TRP . 1.4 m-85 -59.51 88.47 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.143 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 1.067 HG23 HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.77 125.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.709 HG23 ' CB ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.3 138.49 54.61 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.767 -177.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 96' ' ' SER . 76.8 t -119.42 99.72 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.921 HD13 ' CE3' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -90.6 108.7 19.97 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.317 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.837 ' HB2' HD11 ' A' ' 42' ' ' LEU . 7.4 mt-10 -99.07 113.96 26.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.3 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.77 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -110.57 124.69 7.13 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.706 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 1.024 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.8 OUTLIER -99.8 130.28 45.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.53 ' OG ' HG22 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -79.18 99.16 6.88 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 77.03 -91.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.847 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -121.86 -6.36 9.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 111.361 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 87' ' ' SER . 1.8 m -110.8 151.86 27.31 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 1.024 HG23 ' CD2' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -78.88 125.11 28.94 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 87' ' ' SER . 1.5 tp -110.82 -19.99 12.63 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.526 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.77 ' CZ ' ' HA3' ' A' ' 85' ' ' GLY . 8.4 p90 -169.26 167.66 10.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.849 0.833 . . . . 0.0 112.545 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.635 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -160.52 94.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.627 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . 0.459 ' CB ' ' HZ ' ' A' ' 14' ' ' PHE . 34.0 m -115.28 150.77 35.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.815 -178.773 -78.164 145.161 81.597 103.449 2.033 104.277 -145.046 -97.108 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.805 ' HB3' HG22 ' A' ' 82' ' ' VAL . 11.4 p -129.82 168.91 15.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.034 0.445 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -165.79 136.4 3.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 80' ' ' VAL . 19.7 p30 -82.49 95.9 7.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 4.0 m-85 -70.35 114.48 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.584 ' CZ3' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -93.9 81.34 4.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD21 ' HE3' ' A' ' 72' ' ' TRP . 0.8 OUTLIER -66.81 -64.05 0.93 Allowed 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.86 ' HB2' ' O ' ' A' ' 75' ' ' THR . . . -39.78 -33.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.361 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.584 HD13 ' CZ3' ' A' ' 100' ' ' TRP . 1.5 mp -101.25 -24.03 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 39.0 t0 -101.76 -53.2 3.02 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.691 ' O ' HD21 ' A' ' 185' ' ' LEU . 0.0 OUTLIER 28.93 88.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.172 0.295 . . . . 0.0 111.56 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 m -87.46 111.0 20.71 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.78 0.324 . . . . 0.0 111.117 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.875 ' HB2' HD23 ' A' ' 185' ' ' LEU . 0.4 OUTLIER -113.41 130.82 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.995 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.551 ' H ' ' HD2' ' A' ' 109' ' ' PRO . 1.1 tt0 -158.53 -59.03 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . 0.551 ' HD2' ' H ' ' A' ' 108' ' ' GLU . 52.5 Cg_exo -34.0 -48.51 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.443 2.762 . . . . 0.0 114.693 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 108' ' ' GLU . 33.8 Cg_exo -33.66 153.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.813 2.342 . . . . 0.0 113.574 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' HB3' ' HB2' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -85.99 150.96 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 199' ' ' LYS . 0.5 OUTLIER -165.02 136.13 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.757 0.789 . . . . 0.0 111.946 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 199' ' ' LYS . 78.1 mm-40 -139.77 167.85 21.17 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.814 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.759 ' CG2' HG13 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -151.65 115.99 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.639 -179.593 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 29.0 t -101.04 128.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.487 ' CA ' ' OH ' ' A' ' 179' ' ' TYR . . . -106.62 129.94 9.95 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.647 -1.263 . . . . 0.0 113.607 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 7.3 m-85 -96.87 154.93 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.872 HG23 ' HG2' ' A' ' 204' ' ' PRO . 2.5 m -41.27 -40.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.53 14.63 11.09 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 117' ' ' PHE . 10.9 p-80 -161.9 173.72 14.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.493 0.588 . . . . 0.0 112.012 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.831 HG23 ' CZ ' ' A' ' 179' ' ' TYR . 7.0 mt -121.1 137.59 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 2.4 m120 -118.21 97.21 5.67 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.759 HG13 ' CG2' ' A' ' 114' ' ' ILE . 41.9 t -98.55 134.68 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.17 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 1.033 ' SD ' HG23 ' A' ' 167' ' ' THR . 3.9 tpp -133.83 111.65 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 166' ' ' PHE . 16.0 t -99.38 113.58 34.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.498 0.666 . . . . 0.0 109.424 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -87.06 85.89 7.27 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -175.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.501 ' CG ' ' HG2' ' A' ' 162' ' ' MET . 43.0 m-85 -88.56 151.93 48.77 Favored Pre-proline 0 N--CA 1.462 0.145 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.694 ' HG2' ' CD1' ' A' ' 21' ' ' PHE . 10.6 Cg_endo -51.23 154.7 7.57 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.795 2.33 . . . . 0.0 112.718 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 p -76.21 100.43 5.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.469 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -139.58 144.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.267 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 133' ' ' GLU . 21.8 t -94.27 96.24 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.421 . . . . 0.0 110.53 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 135' ' ' LEU . 14.5 pt-20 -40.99 -25.86 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.675 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLU . . . . . 0.619 ' HB2' HG12 ' A' ' 131' ' ' VAL . 10.0 mt-10 -57.03 -11.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.091 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -132.91 27.15 4.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.584 HD21 ' CB ' ' A' ' 137' ' ' PHE . 1.0 OUTLIER -103.99 125.07 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.613 -179.518 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -85.4 5.25 31.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 111.764 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.584 ' CB ' HD21 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -74.1 169.38 17.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 0.0 111.514 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.83 34.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.634 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -110.72 157.47 19.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.886 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.558 ' HA ' HG13 ' A' ' 158' ' ' ILE . 38.4 m -111.62 -179.86 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.429 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.763 HD11 HG13 ' A' ' 183' ' ' VAL . 2.1 tm? -123.55 145.49 48.84 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.694 ' N ' HD13 ' A' ' 141' ' ' LEU . 9.5 t -120.32 110.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.845 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ILE . . . . . 0.761 HD11 ' HD2' ' A' ' 156' ' ' PRO . 0.0 OUTLIER -89.55 99.0 8.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.771 178.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 153' ' ' LYS . 3.7 mt-10 -84.95 122.8 29.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.857 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.844 ' HG3' HG21 ' A' ' 170' ' ' ILE . 0.2 OUTLIER -106.0 109.23 21.11 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.508 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.761 ' HG2' HG22 ' A' ' 151' ' ' VAL . 0.9 OUTLIER -110.0 68.29 0.67 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . 0.939 ' O ' HD12 ' A' ' 150' ' ' ILE . 1.2 p -89.33 130.2 35.75 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 41.44 42.93 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.135 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.11 72.59 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.951 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ILE . . . . . 0.939 HD12 ' O ' ' A' ' 147' ' ' SER . 0.2 OUTLIER -92.79 119.87 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 117.191 0.496 . . . . 0.0 109.981 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' VAL . . . . . 0.761 HG22 ' HG2' ' A' ' 146' ' ' GLN . 12.9 t -98.53 136.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -144.94 159.98 42.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 153' ' ' LYS . . . . . 0.545 ' HA ' ' HG2' ' A' ' 144' ' ' GLU . 22.6 pttt -131.27 100.9 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.107 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' HIS . . . . . 0.62 ' HB2' ' O ' ' A' ' 143' ' ' ILE . 96.9 m-70 -88.25 144.64 26.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.583 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.3 69.79 54.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.31 0.576 . . . . 0.0 110.735 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PRO . . . . . 0.761 ' HD2' HD11 ' A' ' 143' ' ' ILE . 37.1 Cg_exo -61.74 150.31 86.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.701 2.934 . . . . 0.0 112.993 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.94 119.04 8.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ILE . . . . . 0.631 HG21 ' CE ' ' A' ' 162' ' ' MET . 4.9 mm -91.07 18.21 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.787 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -69.81 67.2 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 109.976 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 109.88 14.57 13.47 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASN . . . . . 0.547 ' CB ' ' CE2' ' A' ' 166' ' ' PHE . 1.3 m120 -103.48 -17.99 14.98 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 120.774 0.321 . . . . 0.0 111.311 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' MET . . . . . 0.733 ' SD ' HD21 ' A' ' 139' ' ' LEU . 4.9 mtt -93.17 41.48 1.08 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.982 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 79.8 p -130.97 33.49 4.18 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 126' ' ' LYS . . . 146.58 -131.87 4.2 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.746 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 75.95 10.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.651 ' O ' ' HG3' ' A' ' 124' ' ' MET . 1.6 t80 -42.97 136.14 2.83 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' THR . . . . . 1.033 HG23 ' SD ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -124.1 104.74 9.04 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.189 -0.604 . . . . 0.0 112.503 -177.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 156' ' ' PRO . 3.5 t80 -124.94 143.42 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 121' ' ' ILE . 33.6 mm -124.52 114.86 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.848 0.356 . . . . 0.0 111.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ILE . . . . . 0.844 HG21 ' HG3' ' A' ' 145' ' ' GLU . 0.5 OUTLIER -89.92 103.67 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -110.69 -165.7 1.02 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.533 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 21.7 mttm 66.35 42.13 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.713 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' LEU . . . . . 0.464 HD21 ' OE2' ' A' ' 145' ' ' GLU . 0.8 OUTLIER -131.02 158.74 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.083 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 41.3 pt -101.6 150.25 37.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.548 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.458 ' HA ' ' CD1' ' A' ' 203' ' ' LEU . 70.9 Cg_exo -38.7 156.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.956 2.437 . . . . 0.0 112.986 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ASN . . . . . 0.528 ' HB2' ' CB ' ' A' ' 205' ' ' PRO . 15.3 t30 64.67 67.96 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.326 0.584 . . . . 0.0 110.485 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.907 HG22 ' HB2' ' A' ' 147' ' ' SER . 0.2 OUTLIER -132.49 78.78 1.82 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.665 -178.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.926 ' N ' HD13 ' A' ' 202' ' ' LEU . 9.8 p30 -76.47 109.25 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' TYR . . . . . 0.842 ' CE1' HG22 ' A' ' 201' ' ' THR . 11.9 p90 -114.54 136.14 53.35 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' CYS . . . . . 0.768 ' O ' HD22 ' A' ' 198' ' ' LEU . 1.2 m -92.84 107.03 18.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.384 -98.319 58.749 -118.259 103.97 2.035 104.542 73.607 -102.021 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' VAL . . . . . 0.699 HG23 ' HD1' ' A' ' 179' ' ' TYR . 39.3 t -97.34 118.04 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.625 ' N ' HD23 ' A' ' 198' ' ' LEU . 33.2 t -100.31 164.1 12.09 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.177 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.763 HG13 HD11 ' A' ' 141' ' ' LEU . 18.9 t -130.47 76.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.16 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' TYR . . . . . 0.656 ' CZ ' HG12 ' A' ' 193' ' ' VAL . 1.5 p90 -108.53 143.83 37.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.817 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.875 HD23 ' HB2' ' A' ' 107' ' ' PHE . 3.9 pp -89.76 166.44 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 111.984 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLU . . . . . 0.506 ' OE1' HG22 ' A' ' 142' ' ' VAL . 9.8 pt-20 -143.07 124.77 14.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.888 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -94.44 -49.38 5.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.79 39.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.3 165.56 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 111.318 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -100.86 26.78 6.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -119.6 -8.56 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -95.21 42.71 1.09 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' VAL . . . . . 0.656 HG12 ' CZ ' ' A' ' 184' ' ' TYR . 0.0 OUTLIER -89.02 86.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ILE . . . . . 0.456 ' N ' ' HB2' ' A' ' 184' ' ' TYR . 7.3 mm -82.66 60.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 184' ' ' TYR . 18.7 ttmt -71.56 96.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.818 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 4.7 p -68.35 163.54 51.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.507 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.21 107.63 0.17 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.702 . . . . 0.0 110.565 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 180' ' ' CYS . 1.0 OUTLIER -49.87 174.84 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 122.936 1.35 . . . . 0.0 113.292 -177.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 199' ' ' LYS . . . . . 0.683 ' O ' HD11 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -126.79 110.8 13.49 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 111.949 -2.387 . . . . 0.0 106.786 177.277 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 200' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 179' ' ' TYR . 0.9 OUTLIER -94.19 77.68 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.124 -177.649 -102.021 73.607 -118.259 104.542 2.035 103.97 58.749 -98.319 3 3 . 1 . 001 nuclear build full ' A' A ' 201' ' ' THR . . . . . 0.842 HG22 ' CE1' ' A' ' 179' ' ' TYR . 0.5 OUTLIER -92.31 121.84 34.2 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 178' ' ' ASN . 9.3 tp -94.94 168.87 10.52 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.144 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 203' ' ' LEU . . . . . 0.862 HD21 ' HB ' ' A' ' 177' ' ' THR . 0.0 OUTLIER -116.84 163.45 22.63 Favored Pre-proline 0 CA--C 1.507 -0.675 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.457 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 204' ' ' PRO . . . . . 0.872 ' HG2' HG23 ' A' ' 118' ' ' THR . 36.5 Cg_endo -55.44 103.23 0.1 Allowed 'Trans proline' 0 CA--C 1.513 -0.568 0 N-CA-C 107.712 -1.688 . . . . 0.0 107.712 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' PRO . . . . . 0.61 ' HD3' ' O ' ' A' ' 203' ' ' LEU . 55.6 Cg_endo -63.69 119.37 6.4 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 121.453 1.435 . . . . 0.0 111.752 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -80.47 26.37 3.08 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 113.439 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -92.27 38.02 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.023 0.412 . . . . 0.0 111.165 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.65 -159.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 52.8 p -56.92 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 211' ' ' PHE . 5.6 pt-20 -153.58 113.63 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 211' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 210' ' ' GLU . 10.0 m-85 -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.825 0.345 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -154.64 166.17 34.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 45.55 -169.25 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.384 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.69 166.13 45.52 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.45 145.26 29.15 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.528 2.152 . . . . 0.0 112.281 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.85 95.65 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -69.89 73.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' HD2' ' A' ' 30' ' ' LYS . 81.5 m -89.09 51.56 2.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.431 ' HA ' ' HB2' ' A' ' 32' ' ' HIS . 3.2 p30 -134.69 13.55 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.301 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 174.19 63.83 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 111.155 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.46 -26.98 9.15 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.288 0.566 . . . . 0.0 110.477 179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.2 m 38.4 34.6 0.08 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.417 178.556 -97.108 -145.046 81.597 104.277 2.033 103.449 145.161 -78.164 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLU . 20.9 m -99.09 126.5 44.85 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.741 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.75 ' HE2' HD23 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -117.03 150.65 38.29 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.085 0.469 . . . . 0.0 111.054 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -135.68 142.5 45.11 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.225 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.529 HD11 HD11 ' A' ' 68' ' ' LEU . 5.3 tt -116.93 138.84 46.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.996 0.426 . . . . 0.0 110.486 178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.83 140.4 51.03 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.621 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.805 HD12 ' O ' ' A' ' 22' ' ' ARG . 3.4 tp -105.18 102.08 11.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.693 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.464 ' HG3' ' HB3' ' A' ' 109' ' ' PRO . 1.0 OUTLIER -100.91 114.4 28.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.633 178.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.645 ' O ' ' CD1' ' A' ' 21' ' ' PHE . 57.7 m-20 55.1 47.14 22.56 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.694 ' CD1' ' HG2' ' A' ' 128' ' ' PRO . 50.1 p90 53.61 36.82 24.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.338 -178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.805 ' O ' HD12 ' A' ' 18' ' ' LEU . 21.7 mtt180 -117.97 133.74 55.63 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 177.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.731 ' HB3' ' O ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -88.14 139.46 30.48 Favored 'General case' 0 N--CA 1.445 -0.687 0 C-N-CA 120.103 -0.639 . . . . 0.0 111.288 -177.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.511 HG23 ' HA ' ' A' ' 67' ' ' ASP . 4.2 mp -147.83 119.14 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.944 HD11 HD21 ' A' ' 41' ' ' LEU . 1.9 pp -114.93 141.7 47.6 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-O 121.465 0.65 . . . . 0.0 110.764 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.571 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -123.2 -178.42 3.97 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.954 -1.021 . . . . 0.0 111.081 -179.208 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.921 ' CE3' HD13 ' A' ' 83' ' ' LEU . 2.7 p90 -142.0 157.8 44.52 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.927 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 13' ' ' THR . 1.2 tp10 -132.71 79.59 1.85 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.462 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -100.1 101.05 12.0 Favored 'General case' 0 N--CA 1.436 -1.159 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 178.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.71 ' HD2' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -59.37 158.26 9.7 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.527 -179.173 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.82 127.67 55.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.948 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.431 ' HB2' ' HA ' ' A' ' 9' ' ' ASP . 1.1 t60 -120.31 -70.34 0.79 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.357 . . . . 0.0 110.966 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.0 m -100.75 -67.99 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.814 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 HG22 ' OG ' ' A' ' 87' ' ' SER . 8.5 mt -78.65 150.14 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.566 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.2 t -114.56 90.07 20.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.858 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.99 133.41 16.57 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.611 2.207 . . . . 0.0 111.582 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.507 HG23 ' N ' ' A' ' 38' ' ' HIS . 6.1 t -105.7 -54.36 2.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.759 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HA ' ' O ' ' A' ' 61' ' ' THR . 0.0 OUTLIER -90.65 145.39 24.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.461 0.648 . . . . 0.0 112.13 -179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CE1' HD23 ' A' ' 29' ' ' LEU . 62.8 m-85 -131.75 173.67 10.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.203 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.602 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 1.5 m -139.92 105.43 5.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 121.31 0.576 . . . . 0.0 110.205 178.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.944 HD21 HD11 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -75.94 106.39 7.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.411 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 84' ' ' GLU . 0.2 OUTLIER -107.36 136.93 46.33 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 119.975 -0.69 . . . . 0.0 109.201 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.718 ' N ' HD23 ' A' ' 52' ' ' LEU . 6.7 p90 -140.71 157.16 45.83 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 1.067 HG23 HG23 ' A' ' 80' ' ' VAL . 8.8 t -159.62 -173.48 4.15 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.302 177.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -118.04 127.94 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.032 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.744 ' HG2' ' HB3' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -36.6 -43.53 0.41 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.843 -177.36 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.9 t -63.0 -30.17 71.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.818 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 45' ' ' ILE . 55.5 mttt -132.65 75.9 72.4 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.356 179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.456 ' HD3' ' O ' ' A' ' 46' ' ' MET . 59.1 Cg_endo -71.44 -7.02 20.41 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.632 2.222 . . . . 0.0 113.033 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -90.0 -1.0 57.89 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.282 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -111.7 55.51 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.781 0.325 . . . . 0.0 111.421 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.718 HD23 ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -86.01 145.61 27.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.521 179.616 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -132.31 134.35 45.13 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 113.045 0.758 . . . . 0.0 113.045 -178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.811 HG12 ' CD2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -83.13 94.52 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 0 N-CA-C 105.195 -2.15 . . . . 0.0 105.195 175.224 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.674 HG22 ' HE2' ' A' ' 43' ' ' TYR . 21.3 t -54.09 136.6 15.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CB ' ' A' ' 57' ' ' ASN . 34.4 mtpt -61.01 136.94 58.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.26 179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 56' ' ' LYS . 48.8 t30 79.95 -9.29 1.44 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.243 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.451 ' O ' ' HA ' ' A' ' 40' ' ' THR . 97.4 m -113.4 1.25 15.03 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.58 0.228 . . . . 0.0 110.983 179.54 -65.316 -153.092 85.211 104.84 2.032 104.312 92.483 166.166 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.732 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -90.85 155.69 18.58 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 107.025 -1.472 . . . . 0.0 107.025 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.732 ' C ' ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER 13.08 75.49 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.249 1.023 . . . . 0.0 108.535 -178.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 3.9 t -123.7 131.77 53.68 Favored 'General case' 0 N--CA 1.433 -1.314 0 CA-C-N 113.288 -1.778 . . . . 0.0 107.434 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -94.38 63.21 2.99 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 124.284 1.993 . . . . 0.0 108.37 179.728 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' O ' ' HZ2' ' A' ' 27' ' ' TRP . 13.7 mtt180 -147.11 175.13 10.95 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 109.851 -3.341 . . . . 0.0 106.59 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.739 ' HA ' ' CZ2' ' A' ' 27' ' ' TRP . 44.0 p -119.13 -69.79 0.83 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 119.472 1.033 . . . . 0.0 112.451 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 22.7 p90 -68.76 113.69 6.44 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -178.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.2 t -98.07 146.25 25.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.167 178.888 166.166 92.483 85.211 104.312 2.032 104.84 -153.092 -65.316 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.743 ' C ' HD23 ' A' ' 68' ' ' LEU . 33.9 p-10 -101.48 169.31 8.95 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.743 HD23 ' C ' ' A' ' 67' ' ' ASP . 0.3 OUTLIER -171.49 88.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.848 -179.331 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.5 HG23 ' CB ' ' A' ' 22' ' ' ARG . 5.1 m -86.07 -49.29 7.9 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.491 -0.755 . . . . 0.0 110.915 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.98 12.26 23.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.091 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.29 -20.29 21.27 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.348 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.975 ' HA ' ' CZ ' ' A' ' 79' ' ' TYR . 12.8 m0 -121.18 50.01 1.43 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.142 0.496 . . . . 0.0 110.133 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.4 mtm180 -68.24 -9.65 48.8 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.964 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.411 ' HB2' ' HB2' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -78.77 56.98 1.98 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 179.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.86 ' O ' ' HB2' ' A' ' 102' ' ' ALA . 75.1 p -55.05 -24.97 27.6 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.986 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -92.54 27.37 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.709 179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.439 ' HB3' HG22 ' A' ' 45' ' ' ILE . 49.3 mm-40 -144.08 166.48 24.88 Favored 'General case' 0 CA--C 1.509 -0.613 0 CA-C-O 121.47 0.652 . . . . 0.0 110.636 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.744 ' HB3' ' HG2' ' A' ' 46' ' ' MET . . . -99.69 94.57 6.43 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.433 178.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.975 ' CZ ' ' HA ' ' A' ' 72' ' ' TRP . 1.4 m-85 -59.51 88.47 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.143 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 1.067 HG23 HG23 ' A' ' 44' ' ' THR . 0.0 OUTLIER -67.77 125.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 177.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.709 HG23 ' CB ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -123.3 138.49 54.61 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 120.92 -0.312 . . . . 0.0 111.767 -177.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 96' ' ' SER . 76.8 t -119.42 99.72 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.921 HD13 ' CE3' ' A' ' 27' ' ' TRP . 0.7 OUTLIER -90.6 108.7 19.97 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.259 -0.976 . . . . 0.0 109.317 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.837 ' HB2' HD11 ' A' ' 42' ' ' LEU . 7.4 mt-10 -99.07 113.96 26.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.3 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.77 ' HA3' ' CZ ' ' A' ' 93' ' ' PHE . . . -110.57 124.69 7.13 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.706 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 1.024 ' CD2' HG23 ' A' ' 91' ' ' THR . 0.8 OUTLIER -99.8 130.28 45.99 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.53 ' OG ' HG22 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -79.18 99.16 6.88 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 120.473 -0.491 . . . . 0.0 109.737 -179.147 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.526 ' O ' ' CE1' ' A' ' 38' ' ' HIS . . . 77.03 -91.61 1.01 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.554 -0.831 . . . . 0.0 111.847 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -121.86 -6.36 9.05 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.701 0.286 . . . . 0.0 111.361 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 87' ' ' SER . 1.8 m -110.8 151.86 27.31 Favored 'General case' 0 C--O 1.225 -0.23 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 1.024 HG23 ' CD2' ' A' ' 86' ' ' PHE . 0.2 OUTLIER -78.88 125.11 28.94 Favored 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 176.312 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HB2' ' HB2' ' A' ' 87' ' ' SER . 1.5 tp -110.82 -19.99 12.63 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.05 -1.432 . . . . 0.0 111.526 -177.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.77 ' CZ ' ' HA3' ' A' ' 85' ' ' GLY . 8.4 p90 -169.26 167.66 10.14 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.849 0.833 . . . . 0.0 112.545 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.635 ' HB3' ' CG ' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -160.52 94.73 1.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -179.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . 0.459 ' CB ' ' HZ ' ' A' ' 14' ' ' PHE . 34.0 m -115.28 150.77 35.68 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.815 -178.773 -78.164 145.161 81.597 103.449 2.033 104.277 -145.046 -97.108 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.805 ' HB3' HG22 ' A' ' 82' ' ' VAL . 11.4 p -129.82 168.91 15.85 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.034 0.445 . . . . 0.0 111.129 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -165.79 136.4 3.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.412 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.414 ' HA ' ' HA ' ' A' ' 80' ' ' VAL . 19.7 p30 -82.49 95.9 7.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' O ' ' HA ' ' A' ' 78' ' ' ALA . 4.0 m-85 -70.35 114.48 8.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.764 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.584 ' CZ3' HD13 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -93.9 81.34 4.18 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.651 -0.499 . . . . 0.0 109.651 178.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD21 ' HE3' ' A' ' 72' ' ' TRP . 0.8 OUTLIER -66.81 -64.05 0.93 Allowed 'General case' 0 CA--C 1.518 -0.263 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.909 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.86 ' HB2' ' O ' ' A' ' 75' ' ' THR . . . -39.78 -33.11 0.17 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.361 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.584 HD13 ' CZ3' ' A' ' 100' ' ' TRP . 1.5 mp -101.25 -24.03 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 100' ' ' TRP . 39.0 t0 -101.76 -53.2 3.02 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.691 ' O ' HD21 ' A' ' 185' ' ' LEU . 0.0 OUTLIER 28.93 88.43 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.172 0.295 . . . . 0.0 111.56 -179.581 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.8 m -87.46 111.0 20.71 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-O 120.78 0.324 . . . . 0.0 111.117 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.875 ' HB2' HD23 ' A' ' 185' ' ' LEU . 0.4 OUTLIER -113.41 130.82 56.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.995 179.379 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.551 ' H ' ' HD2' ' A' ' 109' ' ' PRO . 1.1 tt0 -158.53 -59.03 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.259 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . 0.551 ' HD2' ' H ' ' A' ' 108' ' ' GLU . 52.5 Cg_exo -34.0 -48.51 0.54 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.443 2.762 . . . . 0.0 114.693 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' HD2' ' C ' ' A' ' 108' ' ' GLU . 33.8 Cg_exo -33.66 153.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 122.813 2.342 . . . . 0.0 113.574 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.548 ' HB3' ' HB2' ' A' ' 126' ' ' LYS . 1.0 OUTLIER -85.99 150.96 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.425 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.5 ' CE1' ' HB2' ' A' ' 199' ' ' LYS . 0.5 OUTLIER -165.02 136.13 4.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.757 0.789 . . . . 0.0 111.946 179.668 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' HA ' ' CD ' ' A' ' 199' ' ' LYS . 78.1 mm-40 -139.77 167.85 21.17 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 114.263 -1.335 . . . . 0.0 109.814 179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.759 ' CG2' HG13 ' A' ' 123' ' ' VAL . 1.0 OUTLIER -151.65 115.99 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.557 0 CA-C-N 114.421 -1.263 . . . . 0.0 109.639 -179.593 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.474 ' O ' ' HB2' ' A' ' 122' ' ' ASN . 29.0 t -101.04 128.07 53.61 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.976 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.487 ' CA ' ' OH ' ' A' ' 179' ' ' TYR . . . -106.62 129.94 9.95 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 119.647 -1.263 . . . . 0.0 113.607 -177.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 120' ' ' HIS . 7.3 m-85 -96.87 154.93 17.01 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.872 HG23 ' HG2' ' A' ' 204' ' ' PRO . 2.5 m -41.27 -40.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.53 14.63 11.09 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 114.383 1.253 . . . . 0.0 114.383 -177.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . 0.467 ' CE1' ' HB3' ' A' ' 117' ' ' PHE . 10.9 p-80 -161.9 173.72 14.12 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.493 0.588 . . . . 0.0 112.012 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.831 HG23 ' CZ ' ' A' ' 179' ' ' TYR . 7.0 mt -121.1 137.59 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.784 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' A' ' 115' ' ' VAL . 2.4 m120 -118.21 97.21 5.67 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.759 HG13 ' CG2' ' A' ' 114' ' ' ILE . 41.9 t -98.55 134.68 36.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.17 -179.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 1.033 ' SD ' HG23 ' A' ' 167' ' ' THR . 3.9 tpp -133.83 111.65 10.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.802 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.568 ' O ' ' HB2' ' A' ' 166' ' ' PHE . 16.0 t -99.38 113.58 34.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.498 0.666 . . . . 0.0 109.424 179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.548 ' HB2' ' HB3' ' A' ' 111' ' ' GLU . 0.1 OUTLIER -87.06 85.89 7.27 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -175.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.501 ' CG ' ' HG2' ' A' ' 162' ' ' MET . 43.0 m-85 -88.56 151.93 48.77 Favored Pre-proline 0 N--CA 1.462 0.145 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 176.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.694 ' HG2' ' CD1' ' A' ' 21' ' ' PHE . 10.6 Cg_endo -51.23 154.7 7.57 Favored 'Trans proline' 0 C--O 1.23 0.121 0 C-N-CA 122.795 2.33 . . . . 0.0 112.718 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.3 p -76.21 100.43 5.04 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.469 ' C ' HD13 ' A' ' 130' ' ' ILE . 0.0 OUTLIER -139.58 144.66 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.267 -179.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.619 HG12 ' HB2' ' A' ' 133' ' ' GLU . 21.8 t -94.27 96.24 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.985 0.421 . . . . 0.0 110.53 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 135' ' ' LEU . 14.5 pt-20 -40.99 -25.86 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.675 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLU . . . . . 0.619 ' HB2' HG12 ' A' ' 131' ' ' VAL . 10.0 mt-10 -57.03 -11.31 1.45 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.091 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -132.91 27.15 4.27 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.584 HD21 ' CB ' ' A' ' 137' ' ' PHE . 1.0 OUTLIER -103.99 125.07 50.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.613 -179.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -85.4 5.25 31.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.72 0.295 . . . . 0.0 111.764 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.584 ' CB ' HD21 ' A' ' 135' ' ' LEU . 0.1 OUTLIER -74.1 169.38 17.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.511 0.672 . . . . 0.0 111.514 -179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -156.83 34.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.634 178.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 139' ' ' LEU . 0.3 OUTLIER -110.72 157.47 19.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.886 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.558 ' HA ' HG13 ' A' ' 158' ' ' ILE . 38.4 m -111.62 -179.86 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.429 177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.763 HD11 HG13 ' A' ' 183' ' ' VAL . 2.1 tm? -123.55 145.49 48.84 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.694 ' N ' HD13 ' A' ' 141' ' ' LEU . 9.5 t -120.32 110.97 30.35 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.845 -178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ILE . . . . . 0.761 HD11 ' HD2' ' A' ' 156' ' ' PRO . 0.0 OUTLIER -89.55 99.0 8.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 108.771 178.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' ' 153' ' ' LYS . 3.7 mt-10 -84.95 122.8 29.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.733 0.301 . . . . 0.0 110.857 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.844 ' HG3' HG21 ' A' ' 170' ' ' ILE . 0.2 OUTLIER -106.0 109.23 21.11 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -178.508 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.761 ' HG2' HG22 ' A' ' 151' ' ' VAL . 0.9 OUTLIER -110.0 68.29 0.67 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.709 179.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . 0.939 ' O ' HD12 ' A' ' 150' ' ' ILE . 1.2 p -89.33 130.2 35.75 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.944 1.09 . . . . 0.0 113.944 -177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 41.44 42.93 2.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.946 -1.025 . . . . 0.0 113.135 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.11 72.59 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.951 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ILE . . . . . 0.939 HD12 ' O ' ' A' ' 147' ' ' SER . 0.2 OUTLIER -92.79 119.87 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 117.191 0.496 . . . . 0.0 109.981 179.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' VAL . . . . . 0.761 HG22 ' HG2' ' A' ' 146' ' ' GLN . 12.9 t -98.53 136.82 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.891 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -144.94 159.98 42.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.56 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' LYS . . . . . 0.545 ' HA ' ' HG2' ' A' ' 144' ' ' GLU . 22.6 pttt -131.27 100.9 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.107 179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' HIS . . . . . 0.62 ' HB2' ' O ' ' A' ' 143' ' ' ILE . 96.9 m-70 -88.25 144.64 26.32 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.583 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.3 69.79 54.91 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 121.31 0.576 . . . . 0.0 110.735 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PRO . . . . . 0.761 ' HD2' HD11 ' A' ' 143' ' ' ILE . 37.1 Cg_exo -61.74 150.31 86.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 123.701 2.934 . . . . 0.0 112.993 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.94 119.04 8.65 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ILE . . . . . 0.631 HG21 ' CE ' ' A' ' 162' ' ' MET . 4.9 mm -91.07 18.21 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.896 -0.322 . . . . 0.0 111.787 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -69.81 67.2 0.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.082 0.468 . . . . 0.0 109.976 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 109.88 14.57 13.47 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.722 -0.672 . . . . 0.0 112.016 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASN . . . . . 0.547 ' CB ' ' CE2' ' A' ' 166' ' ' PHE . 1.3 m120 -103.48 -17.99 14.98 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-O 120.774 0.321 . . . . 0.0 111.311 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' MET . . . . . 0.733 ' SD ' HD21 ' A' ' 139' ' ' LEU . 4.9 mtt -93.17 41.48 1.08 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.982 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.441 ' CB ' ' O ' ' A' ' 130' ' ' ILE . 79.8 p -130.97 33.49 4.18 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -177.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 126' ' ' LYS . . . 146.58 -131.87 4.2 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.746 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.85 75.95 10.06 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.651 ' O ' ' HG3' ' A' ' 124' ' ' MET . 1.6 t80 -42.97 136.14 2.83 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 177.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . 1.033 HG23 ' SD ' ' A' ' 124' ' ' MET . 0.2 OUTLIER -124.1 104.74 9.04 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.189 -0.604 . . . . 0.0 112.503 -177.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.559 ' CE2' ' HG3' ' A' ' 156' ' ' PRO . 3.5 t80 -124.94 143.42 50.89 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.748 HG23 ' O ' ' A' ' 121' ' ' ILE . 33.6 mm -124.52 114.86 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 120.848 0.356 . . . . 0.0 111.855 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ILE . . . . . 0.844 HG21 ' HG3' ' A' ' 145' ' ' GLU . 0.5 OUTLIER -89.92 103.67 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 177.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -110.69 -165.7 1.02 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.533 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LYS . . . . . . . . . . . . . 21.7 mttm 66.35 42.13 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.713 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' LEU . . . . . 0.464 HD21 ' OE2' ' A' ' 145' ' ' GLU . 0.8 OUTLIER -131.02 158.74 39.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.083 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ILE . . . . . . . . . . . . . 41.3 pt -101.6 150.25 37.12 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.548 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.458 ' HA ' ' CD1' ' A' ' 203' ' ' LEU . 70.9 Cg_exo -38.7 156.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.956 2.437 . . . . 0.0 112.986 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ASN . . . . . 0.528 ' HB2' ' CB ' ' A' ' 205' ' ' PRO . 15.3 t30 64.67 67.96 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.326 0.584 . . . . 0.0 110.485 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.907 HG22 ' HB2' ' A' ' 147' ' ' SER . 0.2 OUTLIER -132.49 78.78 1.82 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.665 -178.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.926 ' N ' HD13 ' A' ' 202' ' ' LEU . 9.8 p30 -76.47 109.25 10.05 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' TYR . . . . . 0.842 ' CE1' HG22 ' A' ' 201' ' ' THR . 11.9 p90 -114.54 136.14 53.35 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -177.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' CYS . . . . . 0.768 ' O ' HD22 ' A' ' 198' ' ' LEU . 1.2 m -92.84 107.03 18.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 175.384 -98.319 58.749 -118.259 103.97 2.035 104.542 73.607 -102.021 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' VAL . . . . . 0.699 HG23 ' HD1' ' A' ' 179' ' ' TYR . 39.3 t -97.34 118.04 43.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.157 -177.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.625 ' N ' HD23 ' A' ' 198' ' ' LEU . 33.2 t -100.31 164.1 12.09 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.177 178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.763 HG13 HD11 ' A' ' 141' ' ' LEU . 18.9 t -130.47 76.68 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.16 -178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' TYR . . . . . 0.656 ' CZ ' HG12 ' A' ' 193' ' ' VAL . 1.5 p90 -108.53 143.83 37.02 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 121.065 -0.254 . . . . 0.0 110.817 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.875 HD23 ' HB2' ' A' ' 107' ' ' PHE . 3.9 pp -89.76 166.44 13.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 111.984 -179.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLU . . . . . 0.506 ' OE1' HG22 ' A' ' 142' ' ' VAL . 9.8 pt-20 -143.07 124.77 14.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.888 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' ' 102' ' ' ALA . 2.4 t-80 -94.44 -49.38 5.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.79 39.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.847 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -167.3 165.56 15.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.927 0.394 . . . . 0.0 111.318 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -100.86 26.78 6.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.5 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -119.6 -8.56 9.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.794 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -95.21 42.71 1.09 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' VAL . . . . . 0.656 HG12 ' CZ ' ' A' ' 184' ' ' TYR . 0.0 OUTLIER -89.02 86.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -177.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ILE . . . . . 0.456 ' N ' ' HB2' ' A' ' 184' ' ' TYR . 7.3 mm -82.66 60.65 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 184' ' ' TYR . 18.7 ttmt -71.56 96.86 1.59 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.818 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' SER . . . . . 0.407 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . 4.7 p -68.35 163.54 51.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.507 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -50.21 107.63 0.17 Allowed 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.702 . . . . 0.0 110.565 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' LEU . . . . . 0.768 HD22 ' O ' ' A' ' 180' ' ' CYS . 1.0 OUTLIER -49.87 174.84 0.02 OUTLIER 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 122.936 1.35 . . . . 0.0 113.292 -177.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' LYS . . . . . 0.683 ' O ' HD11 ' A' ' 114' ' ' ILE . 0.0 OUTLIER -126.79 110.8 13.49 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 111.949 -2.387 . . . . 0.0 106.786 177.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' A' ' 179' ' ' TYR . 0.9 OUTLIER -94.19 77.68 4.01 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.648 -0.421 . . . . 0.0 112.124 -177.649 -102.021 73.607 -118.259 104.542 2.035 103.97 58.749 -98.319 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' THR . . . . . 0.842 HG22 ' CE1' ' A' ' 179' ' ' TYR . 0.5 OUTLIER -92.31 121.84 34.2 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 178' ' ' ASN . 9.3 tp -94.94 168.87 10.52 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.144 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' LEU . . . . . 0.862 HD21 ' HB ' ' A' ' 177' ' ' THR . 0.0 OUTLIER -116.84 163.45 22.63 Favored Pre-proline 0 CA--C 1.507 -0.675 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 179.457 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' PRO . . . . . 0.872 ' HG2' HG23 ' A' ' 118' ' ' THR . 36.5 Cg_endo -55.44 103.23 0.1 Allowed 'Trans proline' 0 CA--C 1.513 -0.568 0 N-CA-C 107.712 -1.688 . . . . 0.0 107.712 178.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' PRO . . . . . 0.61 ' HD3' ' O ' ' A' ' 203' ' ' LEU . 55.6 Cg_endo -63.69 119.37 6.4 Favored 'Trans proline' 0 N--CA 1.453 -0.865 0 C-N-CA 121.453 1.435 . . . . 0.0 111.752 -177.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' GLY . . . . . . . . . . . . . . . -80.47 26.37 3.08 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 114.099 -1.409 . . . . 0.0 113.439 -178.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -92.27 38.02 1.0 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.023 0.412 . . . . 0.0 111.165 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.65 -159.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.538 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' SER . . . . . . . . . . . . . 52.8 p -56.92 -166.72 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 0.0 111.075 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' GLU . . . . . 0.405 ' O ' ' CD1' ' A' ' 211' ' ' PHE . 5.6 pt-20 -153.58 113.63 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.04 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 210' ' ' GLU . 10.0 m-85 -136.49 -167.59 2.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.792 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.919 179.997 . . . . . . . . 0 0 . 1 stop_ save_