data_2j76_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 2j76 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' E' E ' 1' ' ' TYR . . . . . 0.591 ' HB3' ' CE1' ' E' ' 49' ' ' PHE . 5.7 m-85 . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 110.792 -0.077 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' E' ' 47' ' ' ALA . 0.2 OUTLIER -126.59 119.93 28.3 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.175 0.512 . . . . 0.0 111.879 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' ALA . . . . . 0.699 ' HA ' ' O ' ' E' ' 74' ' ' ASP . . . -109.24 119.02 38.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . 0.663 ' HA ' ' O ' ' E' ' 45' ' ' GLY . 1.6 p90 -115.05 144.1 44.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' LEU . . . . . 1.163 ' HA ' ' O ' ' E' ' 72' ' ' ARG . 0.0 OUTLIER -115.96 157.24 24.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' GLY . . . . . 0.767 ' H ' ' H ' ' E' ' 72' ' ' ARG . . . -59.71 -89.36 0.02 OUTLIER Glycine 0 N--CA 1.435 -1.399 0 CA-C-N 112.928 -1.942 . . . . 0.0 110.793 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ASN . . . . . 0.935 ' HA ' ' CA ' ' E' ' 43' ' ' GLY . 0.0 OUTLIER -134.67 134.02 40.69 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.23 178.094 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' LEU . . . . . 0.758 ' HG ' HG21 ' E' ' 12' ' ' VAL . 0.0 OUTLIER -92.32 123.69 61.65 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.303 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' PRO . . . . . 0.828 ' HA ' ' HG3' ' E' ' 69' ' ' ARG . 66.3 Cg_endo -71.96 -20.1 26.01 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 122.39 2.06 . . . . 0.0 111.731 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . 0.439 ' HA ' ' HB3' ' E' ' 41' ' ' LEU . 0.2 OUTLIER 176.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.875 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' E' ' 8' ' ' LEU . 3.4 p-10 -90.44 99.86 12.81 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.786 ' O ' ' CD1' ' E' ' 17' ' ' ILE . 2.4 p -97.15 -105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-N 113.124 -1.853 . . . . 0.0 111.465 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' THR . . . . . 1.036 ' HA ' HG12 ' E' ' 17' ' ' ILE . 0.1 OUTLIER -150.84 176.94 10.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.736 0.303 . . . . 0.0 111.52 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' GLU . . . . . 0.5 ' HB2' ' CD1' ' E' ' 31' ' ' LEU . 0.0 OUTLIER 77.77 94.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.009 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLU . . . . . 0.488 ' H ' ' HG3' ' E' ' 18' ' ' LYS . 0.1 OUTLIER 79.42 -41.5 0.25 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.863 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' SER . . . . . 0.432 ' H ' ' C ' ' E' ' 14' ' ' GLU . 0.4 OUTLIER -68.02 -48.96 64.27 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.004 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' ILE . . . . . 1.036 HG12 ' HA ' ' E' ' 13' ' ' THR . 1.1 mm -79.74 -40.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.103 0 CA-C-O 122.593 1.187 . . . . 0.0 110.213 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' LYS . . . . . 0.534 ' O ' ' NH2' ' E' ' 22' ' ' ARG . 71.7 mttt -46.43 -34.05 4.4 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.232 -1.804 . . . . 0.0 109.133 177.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' E' ' 20' ' ' PHE . 16.2 pt-20 -106.87 -45.03 4.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.938 -1.483 . . . . 0.0 112.599 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.533 ' N ' ' HG3' ' E' ' 19' ' ' GLU . 30.2 t80 -79.54 -32.7 42.27 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' PHE . . . . . 0.823 ' HB2' ' CG2' ' E' ' 17' ' ' ILE . 1.3 t80 -46.37 -37.8 8.02 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' ARG . . . . . 0.806 ' HG2' ' CB ' ' E' ' 54' ' ' SER . 0.0 OUTLIER 168.49 -145.04 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -175.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' GLY . . . . . 0.51 ' N ' ' HD2' ' E' ' 22' ' ' ARG . . . -90.62 -38.01 6.32 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 113.626 -1.624 . . . . 0.0 115.468 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' LEU . . . . . 0.586 ' O ' ' HD3' ' E' ' 22' ' ' ARG . 10.1 mt -98.9 165.18 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 0.0 112.68 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.07 137.38 35.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.365 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' ILE . . . . . 0.654 ' HB ' ' O ' ' E' ' 48' ' ' GLU . 2.6 pt -99.92 133.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.716 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' E' ' 48' ' ' GLU . 0.3 OUTLIER -61.93 -35.72 79.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.618 -177.765 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' ALA . . . . . 0.54 ' O ' ' HA ' ' E' ' 47' ' ' ALA . . . -164.58 157.03 16.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 112.179 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' E' ' 13' ' ' THR . 0.1 OUTLIER -136.69 122.64 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.62 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.8 108.91 15.93 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.082 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' LEU . . . . . 0.825 HD22 ' O ' ' E' ' 13' ' ' THR . 0.0 OUTLIER -123.03 129.93 24.78 Favored Pre-proline 0 C--N 1.307 -1.276 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.38 176.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' PRO . . . . . 0.501 ' HG2' ' HD2' ' E' ' 42' ' ' LYS . 78.0 Cg_exo -53.7 -1.43 0.11 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 122.178 1.919 . . . . 0.0 113.065 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' ARG . . . . . 0.588 ' HB3' HD21 ' E' ' 31' ' ' LEU . 1.6 ttt180 -89.34 145.57 25.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.076 0.465 . . . . 0.0 110.711 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' GLU . . . . . 0.568 ' O ' ' HD2' ' E' ' 38' ' ' PRO . 11.1 mm-40 -111.86 99.16 44.44 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.055 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.34 -1.3 10.21 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.322 2.015 . . . . 0.0 112.74 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -59.9 -14.41 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' ASN . . . . . 0.467 ' H ' ' HD2' ' E' ' 38' ' ' PRO . 1.2 t-20 -177.94 -48.4 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.76 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' PRO . . . . . 0.568 ' HD2' ' O ' ' E' ' 34' ' ' GLU . 81.8 Cg_exo -50.24 -65.92 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.139 2.559 . . . . 0.0 113.916 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' GLU . . . . . 0.404 ' CG ' ' NH2' ' E' ' 33' ' ' ARG . 1.3 tt0 69.75 77.01 0.21 Allowed 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 122.645 1.212 . . . . 0.0 108.165 -176.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' E' ' 42' ' ' LYS . 0.0 OUTLIER -104.47 158.76 16.26 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 112.518 -2.128 . . . . 0.0 113.057 -176.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' E' ' 41' ' ' LEU . 0.0 OUTLIER -122.7 110.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.35 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' LYS . . . . . 0.6 ' HG3' ' CD2' ' E' ' 8' ' ' LEU . 0.0 OUTLIER -131.28 -149.8 0.4 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.275 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' GLY . . . . . 0.935 ' CA ' ' HA ' ' E' ' 7' ' ' ASN . . . -153.67 97.89 0.18 Allowed Glycine 0 N--CA 1.416 -2.693 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.118 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' PHE . . . . . 0.74 ' CD1' ' O ' ' E' ' 43' ' ' GLY . 5.6 m-85 148.86 104.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.394 0.678 . . . . 0.0 109.405 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' GLY . . . . . 0.663 ' O ' ' HA ' ' E' ' 4' ' ' PHE . . . -141.06 164.75 26.42 Favored Glycine 0 CA--C 1.503 -0.674 0 C-N-CA 120.089 -1.053 . . . . 0.0 111.678 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' TYR . . . . . 0.532 ' N ' ' CD2' ' E' ' 46' ' ' TYR . 0.0 OUTLIER -145.18 141.2 28.5 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.01 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' ALA . . . . . 0.625 ' O ' ' HA ' ' E' ' 2' ' ' THR . . . -141.01 151.49 44.14 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 119.535 -0.269 . . . . 0.0 110.426 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' GLU . . . . . 0.654 ' O ' ' HB ' ' E' ' 26' ' ' ILE . 0.3 OUTLIER -96.36 121.25 37.95 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 102.842 -3.021 . . . . 0.0 102.842 175.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' PHE . . . . . 0.642 ' HB3' HG23 ' E' ' 26' ' ' ILE . 0.0 OUTLIER -134.07 148.76 51.08 Favored 'General case' 0 CA--C 1.491 -1.306 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -174.056 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' GLU . . . . . 0.506 ' O ' ' HG ' ' E' ' 52' ' ' LEU . 0.8 OUTLIER -58.65 -26.51 63.86 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 174.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' ASP . . . . . 1.217 ' O ' ' N ' ' E' ' 55' ' ' LEU . 41.5 t0 73.64 -57.24 0.63 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 121.273 0.559 . . . . 0.0 109.549 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' E' ' 51' ' ' ASP . 4.3 mt -23.95 -76.62 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.445 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.97 -42.69 84.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 54' ' ' SER . . . . . 0.806 ' CB ' ' HG2' ' E' ' 22' ' ' ARG . 0.7 OUTLIER -62.28 -40.1 95.12 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.863 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 1.217 ' N ' ' O ' ' E' ' 51' ' ' ASP . 6.9 tp -54.08 -44.85 71.52 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.491 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 56' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' E' ' 57' ' ' SER . 0.4 OUTLIER -61.39 -48.7 80.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.272 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 57' ' ' SER . . . . . 0.652 ' O ' ' N ' ' E' ' 61' ' ' LEU . 3.7 m -73.94 -42.7 60.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.573 0.701 . . . . 0.0 110.282 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 58' ' ' ALA . . . . . 0.759 ' CB ' HG13 ' E' ' 73' ' ' VAL . . . -54.4 -32.1 56.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.08 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 59' ' ' LEU . . . . . 0.563 ' CD2' ' O ' ' E' ' 55' ' ' LEU . 0.0 OUTLIER -74.86 -36.72 62.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.076 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 60' ' ' SER . . . . . 0.425 ' O ' ' C ' ' E' ' 61' ' ' LEU . 1.4 m -107.83 -55.68 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 61' ' ' LEU . . . . . 0.652 ' N ' ' O ' ' E' ' 57' ' ' SER . 2.9 tp -36.05 -53.0 0.78 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.418 0.628 . . . . 0.0 110.0 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 62' ' ' ASN . . . . . 0.455 ' HB2' ' N ' ' E' ' 73' ' ' VAL . 0.0 OUTLIER -57.12 -175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.955 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 63' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' E' ' 71' ' ' ILE . 7.8 pt-20 46.49 16.24 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 64' ' ' GLU . . . . . 0.512 ' O ' ' HB3' ' E' ' 70' ' ' ARG . 1.5 pt-20 -68.47 145.28 54.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 65' ' ' SER . . . . . . . . . . . . . 1.6 m -91.32 105.58 17.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.286 0.565 . . . . 0.0 109.793 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 66' ' ' LEU . . . . . 0.627 ' CG ' ' HG3' ' E' ' 9' ' ' PRO . 0.6 OUTLIER -112.77 114.89 27.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.203 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.51 -73.92 0.01 OUTLIER Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.554 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 68' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' E' ' 66' ' ' LEU . 0.0 OUTLIER -158.28 24.16 0.25 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.338 . . . . 0.0 110.137 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 69' ' ' ARG . . . . . 0.828 ' HG3' ' HA ' ' E' ' 9' ' ' PRO . 0.0 OUTLIER -150.7 130.19 12.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 121.784 0.802 . . . . 0.0 111.886 -179.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 70' ' ' ARG . . . . . 0.512 ' HB3' ' O ' ' E' ' 64' ' ' GLU . 0.0 OUTLIER -117.68 137.87 52.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.799 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 71' ' ' ILE . . . . . 0.67 ' CG2' ' HB2' ' E' ' 5' ' ' LEU . 0.3 OUTLIER -105.39 115.76 47.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.866 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 72' ' ' ARG . . . . . 1.163 ' O ' ' HA ' ' E' ' 5' ' ' LEU . 0.5 OUTLIER -88.12 144.83 26.26 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.071 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 73' ' ' VAL . . . . . 0.759 HG13 ' CB ' ' E' ' 58' ' ' ALA . 39.0 t -129.81 122.33 54.43 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.617 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 74' ' ' ASP . . . . . 0.699 ' O ' ' HA ' ' E' ' 3' ' ' ALA . 42.1 t0 -136.6 150.75 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.119 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 75' ' ' VAL . . . . . 0.574 ' HA ' ' CZ ' ' E' ' 49' ' ' PHE . 14.9 p -85.08 123.37 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 76' ' ' ALA . . . . . 0.489 ' O ' ' O ' ' E' ' 77' ' ' ASP . . . -121.59 106.03 10.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 77' ' ' ASP . . . . . 0.535 ' O ' ' HA ' ' E' ' 1' ' ' TYR . 8.1 m-20 38.26 -172.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 78' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' E' ' 80' ' ' GLN . 6.9 pt20 -167.16 108.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.97 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 80' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' E' ' 78' ' ' GLN . 10.6 mt-30 -137.2 103.27 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' TYR . . . . . 0.619 ' HB3' HG23 ' E' ' 75' ' ' VAL . 5.7 m-85 . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 110.792 -0.077 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 2' ' ' THR . . . . . 0.666 ' HB ' ' HB3' ' E' ' 76' ' ' ALA . 0.2 OUTLIER -126.59 119.93 28.3 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.175 0.512 . . . . 0.0 111.879 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 3' ' ' ALA . . . . . 0.789 ' HB2' ' CE2' ' E' ' 49' ' ' PHE . . . -109.24 119.02 38.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.776 ' C ' HD23 ' E' ' 5' ' ' LEU . 1.6 p90 -115.05 144.1 44.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 5' ' ' LEU . . . . . 1.168 ' HA ' ' O ' ' E' ' 72' ' ' ARG . 0.0 OUTLIER -115.96 157.24 24.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 6' ' ' GLY . . . . . 0.874 ' H ' ' H ' ' E' ' 72' ' ' ARG . . . -59.71 -89.36 0.02 OUTLIER Glycine 0 N--CA 1.435 -1.399 0 CA-C-N 112.928 -1.942 . . . . 0.0 110.793 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ASN . . . . . 0.971 ' HA ' ' CA ' ' E' ' 43' ' ' GLY . 0.0 OUTLIER -134.67 134.02 40.69 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.23 178.094 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 8' ' ' LEU . . . . . 0.8 HD22 ' C ' ' E' ' 42' ' ' LYS . 0.0 OUTLIER -92.32 123.69 61.65 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.303 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 9' ' ' PRO . . . . . 0.822 ' HA ' ' HG3' ' E' ' 69' ' ' ARG . 66.3 Cg_endo -71.96 -20.1 26.01 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 122.39 2.06 . . . . 0.0 111.731 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.886 ' CE2' HD12 ' E' ' 41' ' ' LEU . 0.2 OUTLIER 176.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.875 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' E' ' 8' ' ' LEU . 3.4 p-10 -90.44 99.86 12.81 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 1.15 ' O ' HD11 ' E' ' 17' ' ' ILE . 2.4 p -97.15 -105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-N 113.124 -1.853 . . . . 0.0 111.465 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' THR . . . . . 0.98 ' HA ' HG12 ' E' ' 17' ' ' ILE . 0.1 OUTLIER -150.84 176.94 10.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.736 0.303 . . . . 0.0 111.52 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 14' ' ' GLU . . . . . 0.836 ' HB2' HD11 ' E' ' 31' ' ' LEU . 0.0 OUTLIER 77.77 94.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.009 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLU . . . . . 0.518 ' H ' ' HG3' ' E' ' 18' ' ' LYS . 0.1 OUTLIER 79.42 -41.5 0.25 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.863 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 16' ' ' SER . . . . . 0.599 ' C ' HD13 ' E' ' 17' ' ' ILE . 0.4 OUTLIER -68.02 -48.96 64.27 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.004 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 17' ' ' ILE . . . . . 1.15 HD11 ' O ' ' E' ' 12' ' ' VAL . 1.1 mm -79.74 -40.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.103 0 CA-C-O 122.593 1.187 . . . . 0.0 110.213 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' LYS . . . . . 0.56 ' N ' HD11 ' E' ' 26' ' ' ILE . 71.7 mttt -46.43 -34.05 4.4 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.232 -1.804 . . . . 0.0 109.133 177.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' E' ' 20' ' ' PHE . 16.2 pt-20 -106.87 -45.03 4.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.938 -1.483 . . . . 0.0 112.599 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.533 ' N ' ' HG3' ' E' ' 19' ' ' GLU . 30.2 t80 -79.54 -32.7 42.27 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 21' ' ' PHE . . . . . 0.922 ' HB2' HG22 ' E' ' 17' ' ' ILE . 1.3 t80 -46.37 -37.8 8.02 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 22' ' ' ARG . . . . . 0.851 ' HG2' ' CB ' ' E' ' 54' ' ' SER . 0.0 OUTLIER 168.49 -145.04 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -175.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 23' ' ' GLY . . . . . 0.515 ' N ' ' HD2' ' E' ' 22' ' ' ARG . . . -90.62 -38.01 6.32 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 113.626 -1.624 . . . . 0.0 115.468 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' E' ' 50' ' ' GLU . 10.1 mt -98.9 165.18 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 0.0 112.68 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.07 137.38 35.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.365 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 26' ' ' ILE . . . . . 0.906 HG22 ' CB ' ' E' ' 49' ' ' PHE . 2.6 pt -99.92 133.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.716 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' E' ' 48' ' ' GLU . 0.3 OUTLIER -61.93 -35.72 79.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.618 -177.765 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 28' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' E' ' 47' ' ' ALA . . . -164.58 157.03 16.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 112.179 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' VAL . . . . . 0.853 HG13 ' HB2' ' E' ' 47' ' ' ALA . 0.1 OUTLIER -136.69 122.64 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.62 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.8 108.91 15.93 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.082 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' LEU . . . . . 0.956 HD12 ' H ' ' E' ' 31' ' ' LEU . 0.0 OUTLIER -123.03 129.93 24.78 Favored Pre-proline 0 C--N 1.307 -1.276 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.38 176.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 32' ' ' PRO . . . . . 0.492 ' HG2' ' HD2' ' E' ' 42' ' ' LYS . 78.0 Cg_exo -53.7 -1.43 0.11 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 122.178 1.919 . . . . 0.0 113.065 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 33' ' ' ARG . . . . . 0.931 ' HB3' HD22 ' E' ' 31' ' ' LEU . 1.6 ttt180 -89.34 145.57 25.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.076 0.465 . . . . 0.0 110.711 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 34' ' ' GLU . . . . . 0.539 ' O ' ' HD2' ' E' ' 38' ' ' PRO . 11.1 mm-40 -111.86 99.16 44.44 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.055 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.34 -1.3 10.21 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.322 2.015 . . . . 0.0 112.74 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -59.9 -14.41 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' ASN . . . . . 0.528 ' H ' ' HD2' ' E' ' 38' ' ' PRO . 1.2 t-20 -177.94 -48.4 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.76 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 38' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' E' ' 34' ' ' GLU . 81.8 Cg_exo -50.24 -65.92 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.139 2.559 . . . . 0.0 113.916 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 39' ' ' GLU . . . . . 0.424 ' HA ' ' NH2' ' E' ' 33' ' ' ARG . 1.3 tt0 69.75 77.01 0.21 Allowed 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 122.645 1.212 . . . . 0.0 108.165 -176.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' ARG . . . . . 0.503 ' HD3' ' HB3' ' E' ' 42' ' ' LYS . 0.0 OUTLIER -104.47 158.76 16.26 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 112.518 -2.128 . . . . 0.0 113.057 -176.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 41' ' ' LEU . . . . . 0.886 HD12 ' CE2' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -122.7 110.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.35 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 42' ' ' LYS . . . . . 0.8 ' C ' HD22 ' E' ' 8' ' ' LEU . 0.0 OUTLIER -131.28 -149.8 0.4 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.275 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 43' ' ' GLY . . . . . 0.971 ' CA ' ' HA ' ' E' ' 7' ' ' ASN . . . -153.67 97.89 0.18 Allowed Glycine 0 N--CA 1.416 -2.693 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.118 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 44' ' ' PHE . . . . . 0.74 ' CD1' ' O ' ' E' ' 43' ' ' GLY . 5.6 m-85 148.86 104.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.394 0.678 . . . . 0.0 109.405 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 45' ' ' GLY . . . . . 0.693 ' O ' ' HA ' ' E' ' 4' ' ' PHE . . . -141.06 164.75 26.42 Favored Glycine 0 CA--C 1.503 -0.674 0 C-N-CA 120.089 -1.053 . . . . 0.0 111.678 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 46' ' ' TYR . . . . . 0.532 ' N ' ' CD2' ' E' ' 46' ' ' TYR . 0.0 OUTLIER -145.18 141.2 28.5 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.01 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 47' ' ' ALA . . . . . 0.853 ' HB2' HG13 ' E' ' 29' ' ' VAL . . . -141.01 151.49 44.14 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 119.535 -0.269 . . . . 0.0 110.426 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 48' ' ' GLU . . . . . 0.642 ' O ' ' HB ' ' E' ' 26' ' ' ILE . 0.3 OUTLIER -96.36 121.25 37.95 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 102.842 -3.021 . . . . 0.0 102.842 175.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 49' ' ' PHE . . . . . 0.906 ' CB ' HG22 ' E' ' 26' ' ' ILE . 0.0 OUTLIER -134.07 148.76 51.08 Favored 'General case' 0 CA--C 1.491 -1.306 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -174.056 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 50' ' ' GLU . . . . . 0.755 ' HB3' HD13 ' E' ' 24' ' ' LEU . 0.8 OUTLIER -58.65 -26.51 63.86 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 174.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 51' ' ' ASP . . . . . 1.217 ' O ' ' N ' ' E' ' 55' ' ' LEU . 41.5 t0 73.64 -57.24 0.63 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 121.273 0.559 . . . . 0.0 109.549 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 52' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' E' ' 51' ' ' ASP . 4.3 mt -23.95 -76.62 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.445 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 53' ' ' ASP . . . . . 0.624 ' H ' HD12 ' E' ' 24' ' ' LEU . 8.3 m-20 -66.97 -42.69 84.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 54' ' ' SER . . . . . 0.851 ' CB ' ' HG2' ' E' ' 22' ' ' ARG . 0.7 OUTLIER -62.28 -40.1 95.12 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.863 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 1.217 ' N ' ' O ' ' E' ' 51' ' ' ASP . 6.9 tp -54.08 -44.85 71.52 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.491 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 56' ' ' LEU . . . . . 0.551 HD12 ' C ' ' E' ' 56' ' ' LEU . 0.4 OUTLIER -61.39 -48.7 80.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.272 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 57' ' ' SER . . . . . 0.652 ' O ' ' N ' ' E' ' 61' ' ' LEU . 3.7 m -73.94 -42.7 60.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.573 0.701 . . . . 0.0 110.282 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 58' ' ' ALA . . . . . 0.743 ' HB1' HG12 ' E' ' 73' ' ' VAL . . . -54.4 -32.1 56.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.08 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 59' ' ' LEU . . . . . 0.986 HD22 ' O ' ' E' ' 55' ' ' LEU . 0.0 OUTLIER -74.86 -36.72 62.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.076 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 60' ' ' SER . . . . . 0.425 ' O ' ' C ' ' E' ' 61' ' ' LEU . 1.4 m -107.83 -55.68 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 61' ' ' LEU . . . . . 0.652 ' N ' ' O ' ' E' ' 57' ' ' SER . 2.9 tp -36.05 -53.0 0.78 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.418 0.628 . . . . 0.0 110.0 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 62' ' ' ASN . . . . . 0.656 ' CB ' HG23 ' E' ' 73' ' ' VAL . 0.0 OUTLIER -57.12 -175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.955 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 63' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' E' ' 71' ' ' ILE . 7.8 pt-20 46.49 16.24 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 64' ' ' GLU . . . . . 0.809 ' CD ' HD21 ' E' ' 66' ' ' LEU . 1.5 pt-20 -68.47 145.28 54.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 65' ' ' SER . . . . . 0.586 ' C ' HD13 ' E' ' 66' ' ' LEU . 1.6 m -91.32 105.58 17.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.286 0.565 . . . . 0.0 109.793 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 66' ' ' LEU . . . . . 0.809 HD21 ' CD ' ' E' ' 64' ' ' GLU . 0.6 OUTLIER -112.77 114.89 27.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.203 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.51 -73.92 0.01 OUTLIER Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.554 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 68' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' E' ' 66' ' ' LEU . 0.0 OUTLIER -158.28 24.16 0.25 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.338 . . . . 0.0 110.137 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 69' ' ' ARG . . . . . 0.822 ' HG3' ' HA ' ' E' ' 9' ' ' PRO . 0.0 OUTLIER -150.7 130.19 12.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 121.784 0.802 . . . . 0.0 111.886 -179.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 70' ' ' ARG . . . . . 0.527 ' HB3' ' O ' ' E' ' 64' ' ' GLU . 0.0 OUTLIER -117.68 137.87 52.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.799 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 71' ' ' ILE . . . . . 1.023 HG22 ' HB2' ' E' ' 5' ' ' LEU . 0.3 OUTLIER -105.39 115.76 47.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.866 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 72' ' ' ARG . . . . . 1.168 ' O ' ' HA ' ' E' ' 5' ' ' LEU . 0.5 OUTLIER -88.12 144.83 26.26 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.071 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 73' ' ' VAL . . . . . 0.9 HG11 ' CE1' ' E' ' 21' ' ' PHE . 39.0 t -129.81 122.33 54.43 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.617 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 74' ' ' ASP . . . . . 0.712 ' O ' ' HA ' ' E' ' 3' ' ' ALA . 42.1 t0 -136.6 150.75 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.119 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 75' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' E' ' 1' ' ' TYR . 14.9 p -85.08 123.37 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 76' ' ' ALA . . . . . 0.666 ' HB3' ' HB ' ' E' ' 2' ' ' THR . . . -121.59 106.03 10.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HA ' ' E' ' 1' ' ' TYR . 8.1 m-20 38.26 -172.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 78' ' ' GLN . . . . . 0.551 ' NE2' ' CE2' ' E' ' 1' ' ' TYR . 3.9 pt20 -167.16 108.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.97 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 80' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' E' ' 78' ' ' GLN . 10.6 mt-30 -137.2 103.27 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' TYR . . . . . 0.619 ' HB3' HG23 ' E' ' 75' ' ' VAL . 5.7 m-85 . . . . . 0 N--CA 1.487 1.384 0 N-CA-C 110.792 -0.077 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' THR . . . . . 0.666 ' HB ' ' HB3' ' E' ' 76' ' ' ALA . 0.2 OUTLIER -126.59 119.93 28.3 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.175 0.512 . . . . 0.0 111.879 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' ALA . . . . . 0.789 ' HB2' ' CE2' ' E' ' 49' ' ' PHE . . . -109.24 119.02 38.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.3 179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.776 ' C ' HD23 ' E' ' 5' ' ' LEU . 1.6 p90 -115.05 144.1 44.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 109.924 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' LEU . . . . . 1.168 ' HA ' ' O ' ' E' ' 72' ' ' ARG . 0.0 OUTLIER -115.96 157.24 24.87 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 -178.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' GLY . . . . . 0.874 ' H ' ' H ' ' E' ' 72' ' ' ARG . . . -59.71 -89.36 0.02 OUTLIER Glycine 0 N--CA 1.435 -1.399 0 CA-C-N 112.928 -1.942 . . . . 0.0 110.793 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ASN . . . . . 0.971 ' HA ' ' CA ' ' E' ' 43' ' ' GLY . 0.0 OUTLIER -134.67 134.02 40.69 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 120.352 -0.539 . . . . 0.0 111.23 178.094 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' LEU . . . . . 0.8 HD22 ' C ' ' E' ' 42' ' ' LYS . 0.0 OUTLIER -92.32 123.69 61.65 Favored Pre-proline 0 N--CA 1.444 -0.766 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.303 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' PRO . . . . . 0.822 ' HA ' ' HG3' ' E' ' 69' ' ' ARG . 66.3 Cg_endo -71.96 -20.1 26.01 Favored 'Trans proline' 0 C--N 1.334 -0.222 0 C-N-CA 122.39 2.06 . . . . 0.0 111.731 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.886 ' CE2' HD12 ' E' ' 41' ' ' LEU . 0.2 OUTLIER 176.94 -33.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.875 177.415 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' E' ' 8' ' ' LEU . 3.4 p-10 -90.44 99.86 12.81 Favored 'General case' 0 N--CA 1.428 -1.536 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 1.15 ' O ' HD11 ' E' ' 17' ' ' ILE . 2.4 p -97.15 -105.59 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.803 0 CA-C-N 113.124 -1.853 . . . . 0.0 111.465 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' THR . . . . . 0.98 ' HA ' HG12 ' E' ' 17' ' ' ILE . 0.1 OUTLIER -150.84 176.94 10.59 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.736 0.303 . . . . 0.0 111.52 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' GLU . . . . . 0.836 ' HB2' HD11 ' E' ' 31' ' ' LEU . 0.0 OUTLIER 77.77 94.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -179.009 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLU . . . . . 0.518 ' H ' ' HG3' ' E' ' 18' ' ' LYS . 0.1 OUTLIER 79.42 -41.5 0.25 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.863 -177.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' SER . . . . . 0.599 ' C ' HD13 ' E' ' 17' ' ' ILE . 0.4 OUTLIER -68.02 -48.96 64.27 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.004 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' ILE . . . . . 1.15 HD11 ' O ' ' E' ' 12' ' ' VAL . 1.1 mm -79.74 -40.37 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.103 0 CA-C-O 122.593 1.187 . . . . 0.0 110.213 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' LYS . . . . . 0.56 ' N ' HD11 ' E' ' 26' ' ' ILE . 71.7 mttt -46.43 -34.05 4.4 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-N 113.232 -1.804 . . . . 0.0 109.133 177.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' GLU . . . . . 0.533 ' HG3' ' N ' ' E' ' 20' ' ' PHE . 16.2 pt-20 -106.87 -45.03 4.28 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 113.938 -1.483 . . . . 0.0 112.599 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.533 ' N ' ' HG3' ' E' ' 19' ' ' GLU . 30.2 t80 -79.54 -32.7 42.27 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -177.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' PHE . . . . . 0.922 ' HB2' HG22 ' E' ' 17' ' ' ILE . 1.3 t80 -46.37 -37.8 8.02 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -178.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' ARG . . . . . 0.851 ' HG2' ' CB ' ' E' ' 54' ' ' SER . 0.0 OUTLIER 168.49 -145.04 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 116.597 2.073 . . . . 0.0 116.597 -175.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' GLY . . . . . 0.515 ' N ' ' HD2' ' E' ' 22' ' ' ARG . . . -90.62 -38.01 6.32 Favored Glycine 0 C--N 1.352 1.468 0 CA-C-N 113.626 -1.624 . . . . 0.0 115.468 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' LEU . . . . . 0.755 HD13 ' HB3' ' E' ' 50' ' ' GLU . 10.1 mt -98.9 165.18 11.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.682 0.753 . . . . 0.0 112.68 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -82.07 137.38 35.06 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.365 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' ILE . . . . . 0.906 HG22 ' CB ' ' E' ' 49' ' ' PHE . 2.6 pt -99.92 133.46 42.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.716 177.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' SER . . . . . 0.467 ' N ' ' O ' ' E' ' 48' ' ' GLU . 0.3 OUTLIER -61.93 -35.72 79.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.618 -177.765 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' E' ' 47' ' ' ALA . . . -164.58 157.03 16.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.189 0.519 . . . . 0.0 112.179 -179.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' VAL . . . . . 0.853 HG13 ' HB2' ' E' ' 47' ' ' ALA . 0.1 OUTLIER -136.69 122.64 28.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.925 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.62 -179.586 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -117.8 108.91 15.93 Favored 'General case' 0 N--CA 1.428 -1.525 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.082 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' LEU . . . . . 0.956 HD12 ' H ' ' E' ' 31' ' ' LEU . 0.0 OUTLIER -123.03 129.93 24.78 Favored Pre-proline 0 C--N 1.307 -1.276 0 CA-C-N 113.858 -1.519 . . . . 0.0 109.38 176.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' PRO . . . . . 0.492 ' HG2' ' HD2' ' E' ' 42' ' ' LYS . 78.0 Cg_exo -53.7 -1.43 0.11 Allowed 'Trans proline' 0 CA--C 1.533 0.432 0 C-N-CA 122.178 1.919 . . . . 0.0 113.065 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' ARG . . . . . 0.931 ' HB3' HD22 ' E' ' 31' ' ' LEU . 1.6 ttt180 -89.34 145.57 25.27 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.076 0.465 . . . . 0.0 110.711 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' GLU . . . . . 0.539 ' O ' ' HD2' ' E' ' 38' ' ' PRO . 11.1 mm-40 -111.86 99.16 44.44 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.055 179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.34 -1.3 10.21 Favored 'Trans proline' 0 N--CA 1.457 -0.669 0 C-N-CA 122.322 2.015 . . . . 0.0 112.74 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -59.9 -14.41 15.34 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' ASN . . . . . 0.528 ' H ' ' HD2' ' E' ' 38' ' ' PRO . 1.2 t-20 -177.94 -48.4 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.76 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' PRO . . . . . 0.539 ' HD2' ' O ' ' E' ' 34' ' ' GLU . 81.8 Cg_exo -50.24 -65.92 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.139 2.559 . . . . 0.0 113.916 -179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' GLU . . . . . 0.424 ' HA ' ' NH2' ' E' ' 33' ' ' ARG . 1.3 tt0 69.75 77.01 0.21 Allowed 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 122.645 1.212 . . . . 0.0 108.165 -176.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' ARG . . . . . 0.503 ' HD3' ' HB3' ' E' ' 42' ' ' LYS . 0.0 OUTLIER -104.47 158.76 16.26 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 112.518 -2.128 . . . . 0.0 113.057 -176.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' LEU . . . . . 0.886 HD12 ' CE2' ' E' ' 10' ' ' TYR . 0.0 OUTLIER -122.7 110.36 15.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.795 -1.093 . . . . 0.0 109.35 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' LYS . . . . . 0.8 ' C ' HD22 ' E' ' 8' ' ' LEU . 0.0 OUTLIER -131.28 -149.8 0.4 Allowed 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.275 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' GLY . . . . . 0.971 ' CA ' ' HA ' ' E' ' 7' ' ' ASN . . . -153.67 97.89 0.18 Allowed Glycine 0 N--CA 1.416 -2.693 0 C-N-CA 120.661 -0.78 . . . . 0.0 113.118 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' PHE . . . . . 0.74 ' CD1' ' O ' ' E' ' 43' ' ' GLY . 5.6 m-85 148.86 104.51 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.394 0.678 . . . . 0.0 109.405 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' GLY . . . . . 0.693 ' O ' ' HA ' ' E' ' 4' ' ' PHE . . . -141.06 164.75 26.42 Favored Glycine 0 CA--C 1.503 -0.674 0 C-N-CA 120.089 -1.053 . . . . 0.0 111.678 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' TYR . . . . . 0.532 ' N ' ' CD2' ' E' ' 46' ' ' TYR . 0.0 OUTLIER -145.18 141.2 28.5 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.01 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' ALA . . . . . 0.853 ' HB2' HG13 ' E' ' 29' ' ' VAL . . . -141.01 151.49 44.14 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-O 119.535 -0.269 . . . . 0.0 110.426 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' GLU . . . . . 0.642 ' O ' ' HB ' ' E' ' 26' ' ' ILE . 0.3 OUTLIER -96.36 121.25 37.95 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 102.842 -3.021 . . . . 0.0 102.842 175.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' PHE . . . . . 0.906 ' CB ' HG22 ' E' ' 26' ' ' ILE . 0.0 OUTLIER -134.07 148.76 51.08 Favored 'General case' 0 CA--C 1.491 -1.306 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 -174.056 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' GLU . . . . . 0.755 ' HB3' HD13 ' E' ' 24' ' ' LEU . 0.8 OUTLIER -58.65 -26.51 63.86 Favored 'General case' 0 N--CA 1.428 -1.56 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 174.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' ASP . . . . . 1.217 ' O ' ' N ' ' E' ' 55' ' ' LEU . 41.5 t0 73.64 -57.24 0.63 Allowed 'General case' 0 C--N 1.357 0.909 0 CA-C-O 121.273 0.559 . . . . 0.0 109.549 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' E' ' 51' ' ' ASP . 4.3 mt -23.95 -76.62 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.445 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 53' ' ' ASP . . . . . 0.624 ' H ' HD12 ' E' ' 24' ' ' LEU . 8.3 m-20 -66.97 -42.69 84.72 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.528 -0.915 . . . . 0.0 108.528 176.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 54' ' ' SER . . . . . 0.851 ' CB ' ' HG2' ' E' ' 22' ' ' ARG . 0.7 OUTLIER -62.28 -40.1 95.12 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.863 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 1.217 ' N ' ' O ' ' E' ' 51' ' ' ASP . 6.9 tp -54.08 -44.85 71.52 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.491 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 56' ' ' LEU . . . . . 0.551 HD12 ' C ' ' E' ' 56' ' ' LEU . 0.4 OUTLIER -61.39 -48.7 80.06 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.799 -0.361 . . . . 0.0 111.272 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 57' ' ' SER . . . . . 0.652 ' O ' ' N ' ' E' ' 61' ' ' LEU . 3.7 m -73.94 -42.7 60.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.573 0.701 . . . . 0.0 110.282 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 58' ' ' ALA . . . . . 0.743 ' HB1' HG12 ' E' ' 73' ' ' VAL . . . -54.4 -32.1 56.46 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.08 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 59' ' ' LEU . . . . . 0.986 HD22 ' O ' ' E' ' 55' ' ' LEU . 0.0 OUTLIER -74.86 -36.72 62.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.076 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 60' ' ' SER . . . . . 0.425 ' O ' ' C ' ' E' ' 61' ' ' LEU . 1.4 m -107.83 -55.68 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.529 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 61' ' ' LEU . . . . . 0.652 ' N ' ' O ' ' E' ' 57' ' ' SER . 2.9 tp -36.05 -53.0 0.78 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.418 0.628 . . . . 0.0 110.0 179.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 62' ' ' ASN . . . . . 0.656 ' CB ' HG23 ' E' ' 73' ' ' VAL . 0.0 OUTLIER -57.12 -175.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.955 179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 63' ' ' GLU . . . . . 0.513 ' N ' ' O ' ' E' ' 71' ' ' ILE . 7.8 pt-20 46.49 16.24 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 64' ' ' GLU . . . . . 0.809 ' CD ' HD21 ' E' ' 66' ' ' LEU . 1.5 pt-20 -68.47 145.28 54.21 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 65' ' ' SER . . . . . 0.586 ' C ' HD13 ' E' ' 66' ' ' LEU . 1.6 m -91.32 105.58 17.88 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.286 0.565 . . . . 0.0 109.793 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 66' ' ' LEU . . . . . 0.809 HD21 ' CD ' ' E' ' 64' ' ' GLU . 0.6 OUTLIER -112.77 114.89 27.66 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.203 -178.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.51 -73.92 0.01 OUTLIER Glycine 0 C--N 1.335 0.501 0 C-N-CA 120.944 -0.646 . . . . 0.0 111.554 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 68' ' ' ASN . . . . . 0.627 ' N ' ' O ' ' E' ' 66' ' ' LEU . 0.0 OUTLIER -158.28 24.16 0.25 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.524 -0.338 . . . . 0.0 110.137 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 69' ' ' ARG . . . . . 0.822 ' HG3' ' HA ' ' E' ' 9' ' ' PRO . 0.0 OUTLIER -150.7 130.19 12.98 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-O 121.784 0.802 . . . . 0.0 111.886 -179.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 70' ' ' ARG . . . . . 0.527 ' HB3' ' O ' ' E' ' 64' ' ' GLU . 0.0 OUTLIER -117.68 137.87 52.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.799 179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 71' ' ' ILE . . . . . 1.023 HG22 ' HB2' ' E' ' 5' ' ' LEU . 0.3 OUTLIER -105.39 115.76 47.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.866 179.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 72' ' ' ARG . . . . . 1.168 ' O ' ' HA ' ' E' ' 5' ' ' LEU . 0.5 OUTLIER -88.12 144.83 26.26 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.071 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 73' ' ' VAL . . . . . 0.9 HG11 ' CE1' ' E' ' 21' ' ' PHE . 39.0 t -129.81 122.33 54.43 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 C-N-CA 119.632 -0.827 . . . . 0.0 110.617 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 74' ' ' ASP . . . . . 0.712 ' O ' ' HA ' ' E' ' 3' ' ' ALA . 42.1 t0 -136.6 150.75 48.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.119 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 75' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' E' ' 1' ' ' TYR . 14.9 p -85.08 123.37 39.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.043 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 76' ' ' ALA . . . . . 0.666 ' HB3' ' HB ' ' E' ' 2' ' ' THR . . . -121.59 106.03 10.99 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -178.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 77' ' ' ASP . . . . . 0.567 ' O ' ' HA ' ' E' ' 1' ' ' TYR . 8.1 m-20 38.26 -172.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 78' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' E' ' 80' ' ' GLN . 6.9 pt20 -167.16 108.1 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.083 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.97 -79.61 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 80' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' E' ' 78' ' ' GLN . 10.6 mt-30 -137.2 103.27 5.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.023 177.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 81' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.895 -179.97 . . . . . . . . 0 0 . 1 stop_ save_